[4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

C96H94ClF9N22O10 — CID 163708501

About [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine

[4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (PubChem CID 163708501) has the molecular formula C96H94ClF9N22O10 and a molecular weight of 1922.39 g/mol. Its IUPAC name is [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

Molecular Properties

• Compound Name: [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
• PubChem CID: 163708501
• Molecular Formula: C96H94ClF9N22O10
• Molecular Weight: 1922.39 g/mol
• Exact Mass: 1920.71
• IUPAC Name: [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
• SMILES: CNc1c(-c2ccc(-c3nnc(C)o3)cc2)cnc2[nH]cc(C)c12.CNc1c(-c2ccc(C(=O)N3CCOCC3)cc2OC)cnc2c1C(Cl)=CC2.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3ccc(-c4nnc(C)o4)cc3)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3ccc(C(=O)N4CCOCC4)cc3OC)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cn(C4CCOCC4)nc3OC)c12
• InChI: InChI=1S/C21H22ClN3O3.C21H21F3N4O3.C18H20F3N5O2.C18H14F3N5O.C18H17N5O/c1-23-20-15(12-24-17-6-5-16(22)19(17)20)14-4-3-13(11-18(14)27-2)21(26)25-7-9-28-10-8-25;1-25-18-15(21(22,23)24)11-27-19-17(18)14(10-26-19)13-4-3-12(9-16(13)30-2)20(29)28-5-7-31-8-6-28;1-22-15-13(18(19,20)21)8-24-16-14(15)11(7-23-16)12-9-26(25-17(12)27-2)10-3-5-28-6-4-10;1-9-25-26-17(27-9)11-5-3-10(4-6-11)12-7-23-16-14(12)15(22-2)13(8-24-16)18(19,20)21;1-10-8-20-17-15(10)16(19-3)14(9-21-17)12-4-6-13(7-5-12)18-23-22-11(2)24-18/h3-5,11-12H,6-10H2,1-2H3,(H,23,24);3-4,9-11H,5-8H2,1-2H3,(H2,25,26,27);7-10H,3-6H2,1-2H3,(H2,22,23,24);3-8H,1-2H3,(H2,22,23,24);4-9H,1-3H3,(H2,19,20,21)
• InChIKey: KHDRTMIGMAMCFR-UHFFFAOYSA-N
• XLogP: 19.61
• TPSA: 379.42 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 18
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1922.39
LogP ≤ 5	19.61
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The IUPAC name of [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine (CID 163708501) is [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine.

What is the SMILES notation for [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The canonical SMILES for [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is CNc1c(-c2ccc(-c3nnc(C)o3)cc2)cnc2[nH]cc(C)c12.CNc1c(-c2ccc(C(=O)N3CCOCC3)cc2OC)cnc2c1C(Cl)=CC2.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3ccc(-c4nnc(C)o4)cc3)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3ccc(C(=O)N4CCOCC4)cc3OC)c12.CNc1c(C(F)(F)F)cnc2[nH]cc(-c3cn(C4CCOCC4)nc3OC)c12.

What is the InChIKey of [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

The InChIKey is KHDRTMIGMAMCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3.C21H21F3N4O3.C18H20F3N5O2.C18H14F3N5O.C18H17N5O/c1-23-20-15(12-24-17-6-5-16(22)19(17)20)14-4-3-13(11-18(14)27-2)21(26)25-7-9-28-10-8-25;1-25-18-15(21(22,23)24)11-27-19-17(18)14(10-26-19)13-4-3-12(9-16(13)30-2)20(29)28-5-7-31-8-6-28;1-22-15-13(18(19,20)21)8-24-16-14(15)11(7-23-16)12-9-26(25-17(12)27-2)10-3-5-28-6-4-10;1-9-25-26-17(27-9)11-5-3-10(4-6-11)12-7-23-16-14(12)15(22-2)13(8-24-16)18(19,20)21;1-10-8-20-17-15(10)16(19-3)14(9-21-17)12-4-6-13(7-5-12)18-23-22-11(2)24-18/h3-5,11-12H,6-10H2,1-2H3,(H,23,24);3-4,9-11H,5-8H2,1-2H3,(H2,25,26,27);7-10H,3-6H2,1-2H3,(H2,22,23,24);3-8H,1-2H3,(H2,22,23,24);4-9H,1-3H3,(H2,19,20,21).

What are the key properties of [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine?

[4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine has a molecular weight of 1922.39 g/mol, XLogP of 19.61, 18 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-chloro-4-(methylamino)-7H-cyclopenta[b]pyridin-3-yl]-3-methoxyphenyl]-morpholin-4-ylmethanone;N,3-dimethyl-5-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-1H-pyrrolo[2,3-b]pyridin-4-amine;[3-methoxy-4-[4-(methylamino)-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]phenyl]-morpholin-4-ylmethanone;3-[3-methoxy-1-(oxan-4-yl)pyrazol-4-yl]-N-methyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine;N-methyl-3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-amine is sourced from PubChem (CID 163708501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).