N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide

C24H25Cl2N7O3 — CID 155058575

About N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide

N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide (PubChem CID 155058575) has the molecular formula C24H25Cl2N7O3 and a molecular weight of 530.42 g/mol. Its IUPAC name is N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide
• PubChem CID: 155058575
• Molecular Formula: C24H25Cl2N7O3
• Molecular Weight: 530.42 g/mol
• Exact Mass: 529.14
• IUPAC Name: N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cn(C)nc1Nc1cc2nc(C(C)(C)c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c2cn1
• InChI: InChI=1S/C24H25Cl2N7O3/c1-7-18(34)28-14-11-33(4)32-22(14)31-17-8-12-13(10-27-17)30-23(29-12)24(2,3)19-20(25)15(35-5)9-16(36-6)21(19)26/h7-11H,1H2,2-6H3,(H,28,34)(H,29,30)(H,27,31,32)
• InChIKey: JJRRGSVSIPKZBN-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 118.98 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.42
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide?

The IUPAC name of N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide (CID 155058575) is N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide.

What is the SMILES notation for N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide?

The canonical SMILES for N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide is C=CC(=O)Nc1cn(C)nc1Nc1cc2nc(C(C)(C)c3c(Cl)c(OC)cc(OC)c3Cl)[nH]c2cn1.

What is the InChIKey of N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide?

The InChIKey is JJRRGSVSIPKZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Cl2N7O3/c1-7-18(34)28-14-11-33(4)32-22(14)31-17-8-12-13(10-27-17)30-23(29-12)24(2,3)19-20(25)15(35-5)9-16(36-6)21(19)26/h7-11H,1H2,2-6H3,(H,28,34)(H,29,30)(H,27,31,32).

What are the key properties of N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide?

N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide has a molecular weight of 530.42 g/mol, XLogP of 5.21, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[[2-[2-(2,6-dichloro-3,5-dimethoxyphenyl)propan-2-yl]-3H-imidazo[4,5-c]pyridin-6-yl]amino]-1-methylpyrazol-4-yl]prop-2-enamide is sourced from PubChem (CID 155058575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).