N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

C21H25ClN4O2 — CID 46636123

About N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide

N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46636123) has the molecular formula C21H25ClN4O2 and a molecular weight of 400.91 g/mol. Its IUPAC name is N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 46636123
• Molecular Formula: C21H25ClN4O2
• Molecular Weight: 400.91 g/mol
• Exact Mass: 400.17
• IUPAC Name: N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1cc(Cl)c(C)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C
• InChI: InChI=1S/C21H25ClN4O2/c1-11(2)17-8-14(15-10-23-26(12(3)4)20(15)24-17)21(27)25-18-7-13(5)16(22)9-19(18)28-6/h7-12H,1-6H3,(H,25,27)
• InChIKey: GENIYAIBIQQVKZ-UHFFFAOYSA-N
• XLogP: 5.36
• TPSA: 69.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	400.91
LogP ≤ 5	5.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 46636123) is N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is COc1cc(Cl)c(C)cc1NC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C.

What is the InChIKey of N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is GENIYAIBIQQVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O2/c1-11(2)17-8-14(15-10-23-26(12(3)4)20(15)24-17)21(27)25-18-7-13(5)16(22)9-19(18)28-6/h7-12H,1-6H3,(H,25,27).

What are the key properties of N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide?

N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 400.91 g/mol, XLogP of 5.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chloro-2-methoxy-5-methylphenyl)-1,6-di(propan-2-yl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46636123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).