N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine

C102H127Cl3N20O14S4 — CID 158577983

About N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine

N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 158577983) has the molecular formula C102H127Cl3N20O14S4 and a molecular weight of 2091.89 g/mol. Its IUPAC name is N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
• PubChem CID: 158577983
• Molecular Formula: C102H127Cl3N20O14S4
• Molecular Weight: 2091.89 g/mol
• Exact Mass: 2088.78
• IUPAC Name: N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine
• SMILES: CC1=Nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3)nc2C1.CN(c1cc(C2CC2)ccc1N)S(C)(=O)=O.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1
• InChI: InChI=1S/C28H35N5O4S.C24H28N4O3S.C23H28ClN5O3S.C12H13Cl2N3O.C11H16N2O2S.C4H7NO/c1-17-29-27-23(31-22-12-11-20(18-7-8-18)14-24(22)32(2)38(3,35)36)15-21(16-25(34)19-9-10-19)30-28(27)33(17)26-6-4-5-13-37-26;1-14-10-20-24(25-14)21(12-18(26-20)13-23(29)16-6-7-16)27-19-9-8-17(15-4-5-15)11-22(19)28(2)32(3,30)31;1-14-25-22-18(13-20(24)27-23(22)29(14)21-6-4-5-11-32-21)26-17-10-9-16(15-7-8-15)12-19(17)28(2)33(3,30)31;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-13(16(2,14)15)11-7-9(8-3-4-8)5-6-10(11)12;5-4(6)3-1-2-3/h11-12,14-15,18-19,26H,4-10,13,16H2,1-3H3,(H,30,31);8-9,11-12,15-16H,4-7,10,13H2,1-3H3,(H,26,27);9-10,12-13,15,21H,4-8,11H2,1-3H3,(H,26,27);6,10H,2-5H2,1H3;5-8H,3-4,12H2,1-2H3;3H,1-2H2,(H2,5,6)
• InChIKey: HSWXVTRKJIUQTK-UHFFFAOYSA-N
• XLogP: 19.52
• TPSA: 433.93 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 28
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2091.89
LogP ≤ 5	19.52
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

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 N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?

The IUPAC name of N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 158577983) is N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine.

What is the SMILES notation for N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?

The canonical SMILES for N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine is CC1=Nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3)nc2C1.CN(c1cc(C2CC2)ccc1N)S(C)(=O)=O.Cc1nc2c(Cl)cc(Cl)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(CC(=O)C3CC3)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(C4CC4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)C1CC1.

What is the InChIKey of N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?

The InChIKey is HSWXVTRKJIUQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N5O4S.C24H28N4O3S.C23H28ClN5O3S.C12H13Cl2N3O.C11H16N2O2S.C4H7NO/c1-17-29-27-23(31-22-12-11-20(18-7-8-18)14-24(22)32(2)38(3,35)36)15-21(16-25(34)19-9-10-19)30-28(27)33(17)26-6-4-5-13-37-26;1-14-10-20-24(25-14)21(12-18(26-20)13-23(29)16-6-7-16)27-19-9-8-17(15-4-5-15)11-22(19)28(2)32(3,30)31;1-14-25-22-18(13-20(24)27-23(22)29(14)21-6-4-5-11-32-21)26-17-10-9-16(15-7-8-15)12-19(17)28(2)33(3,30)31;1-7-15-11-8(13)6-9(14)16-12(11)17(7)10-4-2-3-5-18-10;1-13(16(2,14)15)11-7-9(8-3-4-8)5-6-10(11)12;5-4(6)3-1-2-3/h11-12,14-15,18-19,26H,4-10,13,16H2,1-3H3,(H,30,31);8-9,11-12,15-16H,4-7,10,13H2,1-3H3,(H,26,27);9-10,12-13,15,21H,4-8,11H2,1-3H3,(H,26,27);6,10H,2-5H2,1H3;5-8H,3-4,12H2,1-2H3;3H,1-2H2,(H2,5,6).

What are the key properties of N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine?

N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 2091.89 g/mol, XLogP of 19.52, 28 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-5-cyclopropylphenyl)-N-methylmethanesulfonamide;N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-cyclopropylphenyl]-N-methylmethanesulfonamide;cyclopropanecarboxamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;N-[5-cyclopropyl-2-[[5-(2-cyclopropyl-2-oxoethyl)-2-methyl-3H-pyrrolo[3,2-b]pyridin-7-yl]amino]phenyl]-N-methylmethanesulfonamide;5,7-dichloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 158577983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).