7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C185H240F29N33O17 — CID 159647331

IUPAC7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3ccn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3ccc(F)c4nn(C)cc34)CC1)CC2)C(F)(F)F.Cc1cnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(F)(CCN2CCc3ccc(OC(C)C(F)(F)F)nc3CC2)CC1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1
InChIInChI=1S/C29H34F5N5O2.C27H34F4N4O2.C26H35F4N5O3.2C26H35F4N5O2.C26H34F4N4O3.C25H33F4N5O3/c1-18(29(32,33)34)41-25-6-3-19-9-14-39(15-10-24(19)36-25)16-13-28(31)11-7-20(8-12-28)35-27(40)21-4-5-23(30)26-22(21)17-38(2)37-26;1-18-22(4-3-14-32-18)25(36)33-21-7-11-26(28,12-8-21)13-17-35-15-9-20-5-6-24(34-23(20)10-16-35)37-19(2)27(29,30)31;1-18(26(28,29)30)38-24-4-3-19-7-12-35(13-8-22(19)33-24)14-11-25(27)9-5-20(6-10-25)32-23(36)17-37-21-15-31-34(2)16-21;1-18(26(28,29)30)37-24-4-3-19-7-14-35(15-9-22(19)32-24)16-12-25(27)10-5-20(6-11-25)31-23(36)17-21-8-13-34(2)33-21;1-18(26(28,29)30)37-24-4-3-20-7-12-35(13-8-22(20)33-24)14-11-25(27)9-5-21(6-10-25)32-23(36)15-19-16-31-34(2)17-19;1-17-16-31-24(36-17)15-22(35)32-20-5-9-25(27,10-6-20)11-14-34-12-7-19-3-4-23(33-21(19)8-13-34)37-18(2)26(28,29)30;1-16(25(27,28)29)36-22-4-3-18-7-12-34(13-8-20(18)31-22)14-11-24(26)9-5-19(6-10-24)30-21(35)15-23-33-32-17(2)37-23/h3-6,17-18,20H,7-16H2,1-2H3,(H,35,40);3-6,14,19,21H,7-13,15-17H2,1-2H3,(H,33,36);3-4,15-16,18,20H,5-14,17H2,1-2H3,(H,32,36);3-4,8,13,18,20H,5-7,9-12,14-17H2,1-2H3,(H,31,36);3-4,16-18,21H,5-15H2,1-2H3,(H,32,36);3-4,16,18,20H,5-15H2,1-2H3,(H,32,35);3-4,16,19H,5-15H2,1-2H3,(H,30,35)
InChIKeyMRCUTFGWKNFVFV-UHFFFAOYSA-N
MW3749.11 g/mol
LogP30.38
Rot. Bonds55

About 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide

7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 159647331) has the molecular formula C185H240F29N33O17 and a molecular weight of 3749.11 g/mol. Its IUPAC name is 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID159647331
Molecular FormulaC185H240F29N33O17
Molecular Weight3749.11 g/mol
Exact Mass3746.85
IUPAC Name7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3ccn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3ccc(F)c4nn(C)cc34)CC1)CC2)C(F)(F)F.Cc1cnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(F)(CCN2CCc3ccc(OC(C)C(F)(F)F)nc3CC2)CC1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1
InChIInChI=1S/C29H34F5N5O2.C27H34F4N4O2.C26H35F4N5O3.2C26H35F4N5O2.C26H34F4N4O3.C25H33F4N5O3/c1-18(29(32,33)34)41-25-6-3-19-9-14-39(15-10-24(19)36-25)16-13-28(31)11-7-20(8-12-28)35-27(40)21-4-5-23(30)26-22(21)17-38(2)37-26;1-18-22(4-3-14-32-18)25(36)33-21-7-11-26(28,12-8-21)13-17-35-15-9-20-5-6-24(34-23(20)10-16-35)37-19(2)27(29,30)31;1-18(26(28,29)30)38-24-4-3-19-7-12-35(13-8-22(19)33-24)14-11-25(27)9-5-20(6-10-25)32-23(36)17-37-21-15-31-34(2)16-21;1-18(26(28,29)30)37-24-4-3-19-7-14-35(15-9-22(19)32-24)16-12-25(27)10-5-20(6-11-25)31-23(36)17-21-8-13-34(2)33-21;1-18(26(28,29)30)37-24-4-3-20-7-12-35(13-8-22(20)33-24)14-11-25(27)9-5-21(6-10-25)32-23(36)15-19-16-31-34(2)17-19;1-17-16-31-24(36-17)15-22(35)32-20-5-9-25(27,10-6-20)11-14-34-12-7-19-3-4-23(33-21(19)8-13-34)37-18(2)26(28,29)30;1-16(25(27,28)29)36-22-4-3-18-7-12-34(13-8-20(18)31-22)14-11-24(26)9-5-19(6-10-24)30-21(35)15-23-33-32-17(2)37-23/h3-6,17-18,20H,7-16H2,1-2H3,(H,35,40);3-6,14,19,21H,7-13,15-17H2,1-2H3,(H,33,36);3-4,15-16,18,20H,5-14,17H2,1-2H3,(H,32,36);3-4,8,13,18,20H,5-7,9-12,14-17H2,1-2H3,(H,31,36);3-4,16-18,21H,5-15H2,1-2H3,(H,32,36);3-4,16,18,20H,5-15H2,1-2H3,(H,32,35);3-4,16,19H,5-15H2,1-2H3,(H,30,35)
InChIKeyMRCUTFGWKNFVFV-UHFFFAOYSA-N
XLogP30.38
TPSA539.57 Ų
H-Bond Donors7
H-Bond Acceptors43
Rotatable Bonds55
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003749.11
LogP ≤ 530.38
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1043

Analyze 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 159647331) is 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)COc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3ccn(C)n3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)Cc3cnn(C)c3)CC1)CC2)C(F)(F)F.CC(Oc1ccc2c(n1)CCN(CCC1(F)CCC(NC(=O)c3ccc(F)c4nn(C)cc34)CC1)CC2)C(F)(F)F.Cc1cnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1.Cc1ncccc1C(=O)NC1CCC(F)(CCN2CCc3ccc(OC(C)C(F)(F)F)nc3CC2)CC1.Cc1nnc(CC(=O)NC2CCC(F)(CCN3CCc4ccc(OC(C)C(F)(F)F)nc4CC3)CC2)o1.
What is the InChIKey of 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is MRCUTFGWKNFVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F5N5O2.C27H34F4N4O2.C26H35F4N5O3.2C26H35F4N5O2.C26H34F4N4O3.C25H33F4N5O3/c1-18(29(32,33)34)41-25-6-3-19-9-14-39(15-10-24(19)36-25)16-13-28(31)11-7-20(8-12-28)35-27(40)21-4-5-23(30)26-22(21)17-38(2)37-26;1-18-22(4-3-14-32-18)25(36)33-21-7-11-26(28,12-8-21)13-17-35-15-9-20-5-6-24(34-23(20)10-16-35)37-19(2)27(29,30)31;1-18(26(28,29)30)38-24-4-3-19-7-12-35(13-8-22(19)33-24)14-11-25(27)9-5-20(6-10-25)32-23(36)17-37-21-15-31-34(2)16-21;1-18(26(28,29)30)37-24-4-3-19-7-14-35(15-9-22(19)32-24)16-12-25(27)10-5-20(6-11-25)31-23(36)17-21-8-13-34(2)33-21;1-18(26(28,29)30)37-24-4-3-20-7-12-35(13-8-22(20)33-24)14-11-25(27)9-5-21(6-10-25)32-23(36)15-19-16-31-34(2)17-19;1-17-16-31-24(36-17)15-22(35)32-20-5-9-25(27,10-6-20)11-14-34-12-7-19-3-4-23(33-21(19)8-13-34)37-18(2)26(28,29)30;1-16(25(27,28)29)36-22-4-3-18-7-12-34(13-8-20(18)31-22)14-11-24(26)9-5-19(6-10-24)30-21(35)15-23-33-32-17(2)37-23/h3-6,17-18,20H,7-16H2,1-2H3,(H,35,40);3-6,14,19,21H,7-13,15-17H2,1-2H3,(H,33,36);3-4,15-16,18,20H,5-14,17H2,1-2H3,(H,32,36);3-4,8,13,18,20H,5-7,9-12,14-17H2,1-2H3,(H,31,36);3-4,16-18,21H,5-15H2,1-2H3,(H,32,36);3-4,16,18,20H,5-15H2,1-2H3,(H,32,35);3-4,16,19H,5-15H2,1-2H3,(H,30,35).
What are the key properties of 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 3749.11 g/mol, XLogP of 30.38, 55 rotatable bonds, 7 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylindazole-4-carboxamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(5-methyl-1,3-oxazol-2-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-3-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)acetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(1-methylpyrazol-4-yl)oxyacetamide;N-[4-fluoro-4-[2-[2-(1,1,1-trifluoropropan-2-yloxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 159647331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).