N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

C115H136ClF4N29O16S4 — CID 157124212

About N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (PubChem CID 157124212) has the molecular formula C115H136ClF4N29O16S4 and a molecular weight of 2420.25 g/mol. Its IUPAC name is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• PubChem CID: 157124212
• Molecular Formula: C115H136ClF4N29O16S4
• Molecular Weight: 2420.25 g/mol
• Exact Mass: 2417.92
• IUPAC Name: N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide
• SMILES: Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)[C@@H]1C[C@@H]1F
• InChI: InChI=1S/3C29H34FN7O4S.C24H28ClN7O3S.C4H6FNO/c3*1-17-32-28-24(34-23-9-8-18(19-15-31-35(2)16-19)11-25(23)36(3)42(4,39)40)12-20(13-26(38)21-14-22(21)30)33-29(28)37(17)27-7-5-6-10-41-27;1-15-27-23-19(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-18-9-8-16(17-13-26-30(2)14-17)11-20(18)31(3)36(4,33)34;5-3-1-2(3)4(6)7/h3*8-9,11-12,15-16,21-22,27H,5-7,10,13-14H2,1-4H3,(H,33,34);8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29);2-3H,1H2,(H2,6,7)/t21-,22+,27?;2*21-,22-,27?;;2-,3+/m100.1/s1
• InChIKey: AIICBHFMGZAMHM-KQBIXHPKSA-N
• XLogP: 17.81
• TPSA: 522.98 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 40
• Rotatable Bonds: 34
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2420.25
LogP ≤ 5	17.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The IUPAC name of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide (CID 157124212) is N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide.

What is the SMILES notation for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The canonical SMILES for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(CC(=O)[C@H]3C[C@@H]3F)nc2n1C1CCCCO1.Cc1nc2c(Nc3ccc(-c4cnn(C)c4)cc3N(C)S(C)(=O)=O)cc(Cl)nc2n1C1CCCCO1.NC(=O)[C@@H]1C[C@@H]1F.

What is the InChIKey of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

The InChIKey is AIICBHFMGZAMHM-KQBIXHPKSA-N. The full InChI is InChI=1S/3C29H34FN7O4S.C24H28ClN7O3S.C4H6FNO/c3*1-17-32-28-24(34-23-9-8-18(19-15-31-35(2)16-19)11-25(23)36(3)42(4,39)40)12-20(13-26(38)21-14-22(21)30)33-29(28)37(17)27-7-5-6-10-41-27;1-15-27-23-19(12-21(25)29-24(23)32(15)22-7-5-6-10-35-22)28-18-9-8-16(17-13-26-30(2)14-17)11-20(18)31(3)36(4,33)34;5-3-1-2(3)4(6)7/h3*8-9,11-12,15-16,21-22,27H,5-7,10,13-14H2,1-4H3,(H,33,34);8-9,11-14,22H,5-7,10H2,1-4H3,(H,28,29);2-3H,1H2,(H2,6,7)/t21-,22+,27?;2*21-,22-,27?;;2-,3+/m100.1/s1.

What are the key properties of N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide?

N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide has a molecular weight of 2420.25 g/mol, XLogP of 17.81, 34 rotatable bonds, 5 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[5-chloro-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide;cis-(1S,2S)-2-fluorocyclopropane-1-carboxamide;bis(N-[2-[[5-[2-[(1R,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide);N-[2-[[5-[2-[(1S,2S)-2-fluorocyclopropyl]-2-oxoethyl]-2-methyl-3-(oxan-2-yl)imidazo[4,5-b]pyridin-7-yl]amino]-5-(1-methylpyrazol-4-yl)phenyl]-N-methylmethanesulfonamide is sourced from PubChem (CID 157124212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).