(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C153H134F6N22O9S — CID 159077172

IUPAC(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)C4CCC4)cc23)s1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@H](N)C4CCCCC4)cc23)c1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4ccncc4)cc23)c1.N[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)C(c1ccccc1)c1ccccc1.O=C(CC1(c2ccccc2)CCCC1)Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1)C1Cc2ccccc2CN1
InChIInChI=1S/C32H29N3O.C30H22F6N4O.C29H24N4O.C23H26N4O2.C21H16N4O2.C18H17N3O2S/c36-30(22-32(19-7-8-20-32)26-11-5-2-6-12-26)33-27-17-18-29-28(21-27)31(35-34-29)25-15-13-24(14-16-25)23-9-3-1-4-10-23;31-29(32,33)20-13-19(14-21(15-20)30(34,35)36)27-23-16-22(11-12-24(23)39-40-27)38-28(41)26(37)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18;34-29(27-16-21-9-4-5-10-23(21)18-30-27)31-24-13-14-26-25(17-24)28(33-32-26)22-12-6-11-20(15-22)19-7-2-1-3-8-19;1-14(28)16-8-5-9-17(12-16)22-19-13-18(10-11-20(19)26-27-22)25-23(29)21(24)15-6-3-2-4-7-15;1-13(26)15-3-2-4-16(11-15)20-18-12-17(5-6-19(18)24-25-20)23-21(27)14-7-9-22-10-8-14;1-10(22)15-7-8-16(24-15)17-13-9-12(5-6-14(13)20-21-17)19-18(23)11-3-2-4-11/h1-6,9-18,21H,7-8,19-20,22H2,(H,33,36)(H,34,35);1-16,25-26H,37H2,(H,38,41)(H,39,40);1-15,17,27,30H,16,18H2,(H,31,34)(H,32,33);5,8-13,15,21H,2-4,6-7,24H2,1H3,(H,25,29)(H,26,27);2-12H,1H3,(H,23,27)(H,24,25);5-9,11H,2-4H2,1H3,(H,19,23)(H,20,21)/t;26-;;21-;;/m.1.1../s1
InChIKeyKAJYBFRDUOALNS-YAYHLNQASA-N
MW2570.95 g/mol
LogP33.24
Rot. Bonds29

About (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 159077172) has the molecular formula C153H134F6N22O9S and a molecular weight of 2570.95 g/mol. Its IUPAC name is (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID159077172
Molecular FormulaC153H134F6N22O9S
Molecular Weight2570.95 g/mol
Exact Mass2569.03
IUPAC Name(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)C4CCC4)cc23)s1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@H](N)C4CCCCC4)cc23)c1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4ccncc4)cc23)c1.N[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)C(c1ccccc1)c1ccccc1.O=C(CC1(c2ccccc2)CCCC1)Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1)C1Cc2ccccc2CN1
InChIInChI=1S/C32H29N3O.C30H22F6N4O.C29H24N4O.C23H26N4O2.C21H16N4O2.C18H17N3O2S/c36-30(22-32(19-7-8-20-32)26-11-5-2-6-12-26)33-27-17-18-29-28(21-27)31(35-34-29)25-15-13-24(14-16-25)23-9-3-1-4-10-23;31-29(32,33)20-13-19(14-21(15-20)30(34,35)36)27-23-16-22(11-12-24(23)39-40-27)38-28(41)26(37)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18;34-29(27-16-21-9-4-5-10-23(21)18-30-27)31-24-13-14-26-25(17-24)28(33-32-26)22-12-6-11-20(15-22)19-7-2-1-3-8-19;1-14(28)16-8-5-9-17(12-16)22-19-13-18(10-11-20(19)26-27-22)25-23(29)21(24)15-6-3-2-4-7-15;1-13(26)15-3-2-4-16(11-15)20-18-12-17(5-6-19(18)24-25-20)23-21(27)14-7-9-22-10-8-14;1-10(22)15-7-8-16(24-15)17-13-9-12(5-6-14(13)20-21-17)19-18(23)11-3-2-4-11/h1-6,9-18,21H,7-8,19-20,22H2,(H,33,36)(H,34,35);1-16,25-26H,37H2,(H,38,41)(H,39,40);1-15,17,27,30H,16,18H2,(H,31,34)(H,32,33);5,8-13,15,21H,2-4,6-7,24H2,1H3,(H,25,29)(H,26,27);2-12H,1H3,(H,23,27)(H,24,25);5-9,11H,2-4H2,1H3,(H,19,23)(H,20,21)/t;26-;;21-;;/m.1.1../s1
InChIKeyKAJYBFRDUOALNS-YAYHLNQASA-N
XLogP33.24
TPSA474.85 Ų
H-Bond Donors15
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms191
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002570.95
LogP ≤ 533.24
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1020

Analyze (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 159077172) is (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC(=O)c1ccc(-c2n[nH]c3ccc(NC(=O)C4CCC4)cc23)s1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)[C@H](N)C4CCCCC4)cc23)c1.CC(=O)c1cccc(-c2n[nH]c3ccc(NC(=O)c4ccncc4)cc23)c1.N[C@@H](C(=O)Nc1ccc2[nH]nc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2c1)C(c1ccccc1)c1ccccc1.O=C(CC1(c2ccccc2)CCCC1)Nc1ccc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2c1.O=C(Nc1ccc2[nH]nc(-c3cccc(-c4ccccc4)c3)c2c1)C1Cc2ccccc2CN1.
What is the InChIKey of (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is KAJYBFRDUOALNS-YAYHLNQASA-N. The full InChI is InChI=1S/C32H29N3O.C30H22F6N4O.C29H24N4O.C23H26N4O2.C21H16N4O2.C18H17N3O2S/c36-30(22-32(19-7-8-20-32)26-11-5-2-6-12-26)33-27-17-18-29-28(21-27)31(35-34-29)25-15-13-24(14-16-25)23-9-3-1-4-10-23;31-29(32,33)20-13-19(14-21(15-20)30(34,35)36)27-23-16-22(11-12-24(23)39-40-27)38-28(41)26(37)25(17-7-3-1-4-8-17)18-9-5-2-6-10-18;34-29(27-16-21-9-4-5-10-23(21)18-30-27)31-24-13-14-26-25(17-24)28(33-32-26)22-12-6-11-20(15-22)19-7-2-1-3-8-19;1-14(28)16-8-5-9-17(12-16)22-19-13-18(10-11-20(19)26-27-22)25-23(29)21(24)15-6-3-2-4-7-15;1-13(26)15-3-2-4-16(11-15)20-18-12-17(5-6-19(18)24-25-20)23-21(27)14-7-9-22-10-8-14;1-10(22)15-7-8-16(24-15)17-13-9-12(5-6-14(13)20-21-17)19-18(23)11-3-2-4-11/h1-6,9-18,21H,7-8,19-20,22H2,(H,33,36)(H,34,35);1-16,25-26H,37H2,(H,38,41)(H,39,40);1-15,17,27,30H,16,18H2,(H,31,34)(H,32,33);5,8-13,15,21H,2-4,6-7,24H2,1H3,(H,25,29)(H,26,27);2-12H,1H3,(H,23,27)(H,24,25);5-9,11H,2-4H2,1H3,(H,19,23)(H,20,21)/t;26-;;21-;;/m.1.1../s1.
What are the key properties of (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 2570.95 g/mol, XLogP of 33.24, 29 rotatable bonds, 15 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-(3-acetylphenyl)-1H-indazol-5-yl]-2-amino-2-cyclohexylacetamide;N-[3-(3-acetylphenyl)-1H-indazol-5-yl]pyridine-4-carboxamide;N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]cyclobutanecarboxamide;(2R)-2-amino-N-[3-[3,5-bis(trifluoromethyl)phenyl]-1H-indazol-5-yl]-3,3-diphenylpropanamide;2-(1-phenylcyclopentyl)-N-[3-(4-phenylphenyl)-1H-indazol-5-yl]acetamide;N-[3-(3-phenylphenyl)-1H-indazol-5-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 159077172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).