[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

C151H167F16N35O7 — CID 160697290

IUPAC[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCC1(F)CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NC(C)C)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CC(C)(F)C4)nc3F)c12.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)(F)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12
InChIInChI=1S/C23H28FN5O.C22H22F5N5O.C22H23F4N5O.C22H26FN5O.C21H23F2N5O.C21H24FN5O.C20H21F2N5O/c1-13(2)28-23-19-18(11-25-22(19)26-12-27-23)20(30)17-9-8-16(29-21(17)24)10-15-6-4-14(3)5-7-15;1-21(24)6-4-12(5-7-21)8-13-2-3-14(18(23)32-13)17(33)15-9-28-19-16(15)20(31-11-30-19)29-10-22(25,26)27;1-12-2-4-13(5-3-12)8-14-6-7-15(19(23)31-14)18(32)16-9-27-20-17(16)21(30-11-29-20)28-10-22(24,25)26;1-3-24-21-18-17(11-25-22(18)27-12-26-21)19(29)16-9-8-15(28-20(16)23)10-14-6-4-13(2)5-7-14;1-21(23)7-5-12(6-8-21)9-13-3-4-14(18(22)28-13)17(29)15-10-25-20-16(15)19(24-2)26-11-27-20;1-12-3-5-13(6-4-12)9-14-7-8-15(19(22)27-14)18(28)16-10-24-21-17(16)20(23-2)25-11-26-21;1-3-23-18-15-14(9-24-19(15)26-10-25-18)16(28)13-5-4-12(27-17(13)21)6-11-7-20(2,22)8-11/h8-9,11-15H,4-7,10H2,1-3H3,(H2,25,26,27,28);2-3,9,11-12H,4-8,10H2,1H3,(H2,28,29,30,31);6-7,9,11-13H,2-5,8,10H2,1H3,(H2,27,28,29,30);8-9,11-14H,3-7,10H2,1-2H3,(H2,24,25,26,27);3-4,10-12H,5-9H2,1-2H3,(H2,24,25,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H2,23,24,25,26);4-5,9-11H,3,6-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyRQDVAJSHRNLUDY-UHFFFAOYSA-N
MW2888.20 g/mol
LogP31.85
Rot. Bonds40

About [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone

[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (PubChem CID 160697290) has the molecular formula C151H167F16N35O7 and a molecular weight of 2888.20 g/mol. Its IUPAC name is [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.

Molecular Properties

Compound Name[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
PubChem CID160697290
Molecular FormulaC151H167F16N35O7
Molecular Weight2888.20 g/mol
Exact Mass2886.35
IUPAC Name[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
SMILESCC1(F)CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NC(C)C)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CC(C)(F)C4)nc3F)c12.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)(F)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12
InChIInChI=1S/C23H28FN5O.C22H22F5N5O.C22H23F4N5O.C22H26FN5O.C21H23F2N5O.C21H24FN5O.C20H21F2N5O/c1-13(2)28-23-19-18(11-25-22(19)26-12-27-23)20(30)17-9-8-16(29-21(17)24)10-15-6-4-14(3)5-7-15;1-21(24)6-4-12(5-7-21)8-13-2-3-14(18(23)32-13)17(33)15-9-28-19-16(15)20(31-11-30-19)29-10-22(25,26)27;1-12-2-4-13(5-3-12)8-14-6-7-15(19(23)31-14)18(32)16-9-27-20-17(16)21(30-11-29-20)28-10-22(24,25)26;1-3-24-21-18-17(11-25-22(18)27-12-26-21)19(29)16-9-8-15(28-20(16)23)10-14-6-4-13(2)5-7-14;1-21(23)7-5-12(6-8-21)9-13-3-4-14(18(22)28-13)17(29)15-10-25-20-16(15)19(24-2)26-11-27-20;1-12-3-5-13(6-4-12)9-14-7-8-15(19(22)27-14)18(28)16-10-24-21-17(16)20(23-2)25-11-26-21;1-3-23-18-15-14(9-24-19(15)26-10-25-18)16(28)13-5-4-12(27-17(13)21)6-11-7-20(2,22)8-11/h8-9,11-15H,4-7,10H2,1-3H3,(H2,25,26,27,28);2-3,9,11-12H,4-8,10H2,1H3,(H2,28,29,30,31);6-7,9,11-13H,2-5,8,10H2,1H3,(H2,27,28,29,30);8-9,11-14H,3-7,10H2,1-2H3,(H2,24,25,26,27);3-4,10-12H,5-9H2,1-2H3,(H2,24,25,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H2,23,24,25,26);4-5,9-11H,3,6-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyRQDVAJSHRNLUDY-UHFFFAOYSA-N
XLogP31.85
TPSA584.92 Ų
H-Bond Donors14
H-Bond Acceptors35
Rotatable Bonds40
Heavy Atoms209
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002888.20
LogP ≤ 531.85
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1035

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The IUPAC name of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone (CID 160697290) is [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone.
What is the SMILES notation for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The canonical SMILES for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is CC1(F)CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NC(C)C)c34)c(F)n2)CC1.CC1CCC(Cc2ccc(C(=O)c3c[nH]c4ncnc(NCC(F)(F)F)c34)c(F)n2)CC1.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CC(C)(F)C4)nc3F)c12.CCNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)(F)CC4)nc3F)c12.CNc1ncnc2[nH]cc(C(=O)c3ccc(CC4CCC(C)CC4)nc3F)c12.
What is the InChIKey of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
The InChIKey is RQDVAJSHRNLUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O.C22H22F5N5O.C22H23F4N5O.C22H26FN5O.C21H23F2N5O.C21H24FN5O.C20H21F2N5O/c1-13(2)28-23-19-18(11-25-22(19)26-12-27-23)20(30)17-9-8-16(29-21(17)24)10-15-6-4-14(3)5-7-15;1-21(24)6-4-12(5-7-21)8-13-2-3-14(18(23)32-13)17(33)15-9-28-19-16(15)20(31-11-30-19)29-10-22(25,26)27;1-12-2-4-13(5-3-12)8-14-6-7-15(19(23)31-14)18(32)16-9-27-20-17(16)21(30-11-29-20)28-10-22(24,25)26;1-3-24-21-18-17(11-25-22(18)27-12-26-21)19(29)16-9-8-15(28-20(16)23)10-14-6-4-13(2)5-7-14;1-21(23)7-5-12(6-8-21)9-13-3-4-14(18(22)28-13)17(29)15-10-25-20-16(15)19(24-2)26-11-27-20;1-12-3-5-13(6-4-12)9-14-7-8-15(19(22)27-14)18(28)16-10-24-21-17(16)20(23-2)25-11-26-21;1-3-23-18-15-14(9-24-19(15)26-10-25-18)16(28)13-5-4-12(27-17(13)21)6-11-7-20(2,22)8-11/h8-9,11-15H,4-7,10H2,1-3H3,(H2,25,26,27,28);2-3,9,11-12H,4-8,10H2,1H3,(H2,28,29,30,31);6-7,9,11-13H,2-5,8,10H2,1H3,(H2,27,28,29,30);8-9,11-14H,3-7,10H2,1-2H3,(H2,24,25,26,27);3-4,10-12H,5-9H2,1-2H3,(H2,24,25,26,27);7-8,10-13H,3-6,9H2,1-2H3,(H2,23,24,25,26);4-5,9-11H,3,6-8H2,1-2H3,(H2,23,24,25,26).
What are the key properties of [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone?
[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone has a molecular weight of 2888.20 g/mol, XLogP of 31.85, 40 rotatable bonds, 14 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(3-fluoro-3-methylcyclobutyl)methyl]-3-pyridinyl]methanone;[4-(ethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]-[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-fluoro-4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(propan-2-ylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone;[2-fluoro-6-[(4-methylcyclohexyl)methyl]-3-pyridinyl]-[4-(2,2,2-trifluoroethylamino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone is sourced from PubChem (CID 160697290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).