2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine

C107H117Cl4F2N31O7 — CID 159654165

About 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine

2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine (PubChem CID 159654165) has the molecular formula C107H117Cl4F2N31O7 and a molecular weight of 2129.13 g/mol. Its IUPAC name is 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine.

Molecular Properties

• Compound Name: 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
• PubChem CID: 159654165
• Molecular Formula: C107H117Cl4F2N31O7
• Molecular Weight: 2129.13 g/mol
• Exact Mass: 2125.85
• IUPAC Name: 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine
• SMILES: COc1c(-c2cnn(C)n2)ccc(N)c1N.COc1c(Nc2cc(CCc3ccccc3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1.COc1c(Nc2cc(N)nc3c2N=C(C)C3)cccc1-c1cnn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.FC1(F)CCc2ccc(Cl)nc21.NCc1ccccc1
• InChI: InChI=1S/C30H33N7O2.C22H24ClN7O2.C18H19N7O.C12H13Cl2N3O.C10H13N5O.C8H6ClF2N.C7H9N/c1-20-32-28-25(34-24-13-9-12-23(29(24)38-3)26-19-31-36(2)35-26)18-22(16-15-21-10-5-4-6-11-21)33-30(28)37(20)27-14-7-8-17-39-27;1-13-25-20-16(11-18(23)27-22(20)30(13)19-9-4-5-10-32-19)26-15-8-6-7-14(21(15)31-3)17-12-24-29(2)28-17;1-10-7-13-17(21-10)14(8-16(19)23-13)22-12-6-4-5-11(18(12)26-3)15-9-20-25(2)24-15;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-15-13-5-8(14-15)6-3-4-7(11)9(12)10(6)16-2;9-6-2-1-5-3-4-8(10,11)7(5)12-6;8-6-7-4-2-1-3-5-7/h4-6,9-13,18-19,27H,7-8,14-17H2,1-3H3,(H,33,34);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,26,27);4-6,8-9H,7H2,1-3H3,(H3,19,22,23);6,10H,2-5H2,1H3;3-5H,11-12H2,1-2H3;1-2H,3-4H2;1-5H,6,8H2
• InChIKey: MRYQYJKFIIRQKV-UHFFFAOYSA-N
• XLogP: 21.59
• TPSA: 457.89 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 38
• Rotatable Bonds: 21
• Heavy Atoms: 151
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2129.13
LogP ≤ 5	21.59
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine?

The IUPAC name of 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine (CID 159654165) is 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine.

What is the SMILES notation for 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine?

The canonical SMILES for 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine is COc1c(-c2cnn(C)n2)ccc(N)c1N.COc1c(Nc2cc(CCc3ccccc3)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1.COc1c(Nc2cc(Cl)nc3c2nc(C)n3C2CCCCO2)cccc1-c1cnn(C)n1.COc1c(Nc2cc(N)nc3c2N=C(C)C3)cccc1-c1cnn(C)n1.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.FC1(F)CCc2ccc(Cl)nc21.NCc1ccccc1.

What is the InChIKey of 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine?

The InChIKey is MRYQYJKFIIRQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2.C22H24ClN7O2.C18H19N7O.C12H13Cl2N3O.C10H13N5O.C8H6ClF2N.C7H9N/c1-20-32-28-25(34-24-13-9-12-23(29(24)38-3)26-19-31-36(2)35-26)18-22(16-15-21-10-5-4-6-11-21)33-30(28)37(20)27-14-7-8-17-39-27;1-13-25-20-16(11-18(23)27-22(20)30(13)19-9-4-5-10-32-19)26-15-8-6-7-14(21(15)31-3)17-12-24-29(2)28-17;1-10-7-13-17(21-10)14(8-16(19)23-13)22-12-6-4-5-11(18(12)26-3)15-9-20-25(2)24-15;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-15-13-5-8(14-15)6-3-4-7(11)9(12)10(6)16-2;9-6-2-1-5-3-4-8(10,11)7(5)12-6;8-6-7-4-2-1-3-5-7/h4-6,9-13,18-19,27H,7-8,14-17H2,1-3H3,(H,33,34);6-8,11-12,19H,4-5,9-10H2,1-3H3,(H,26,27);4-6,8-9H,7H2,1-3H3,(H3,19,22,23);6,10H,2-5H2,1H3;3-5H,11-12H2,1-2H3;1-2H,3-4H2;1-5H,6,8H2.

What are the key properties of 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine?

2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine has a molecular weight of 2129.13 g/mol, XLogP of 21.59, 21 rotatable bonds, 7 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-7,7-difluoro-5,6-dihydrocyclopenta[b]pyridine;5-chloro-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-amine;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine;3-methoxy-4-(2-methyltriazol-4-yl)benzene-1,2-diamine;N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3-(oxan-2-yl)-5-(2-phenylethyl)imidazo[4,5-b]pyridin-7-amine;7-N-[2-methoxy-3-(2-methyltriazol-4-yl)phenyl]-2-methyl-3H-pyrrolo[3,2-b]pyridine-5,7-diamine;phenylmethanamine is sourced from PubChem (CID 159654165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).