N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

C₂₈H₃₃N₇O₂ — CID 146877976

About N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 146877976) has the molecular formula C₂₈H₃₃N₇O₂ and a molecular weight of 499.62 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
• PubChem CID: 146877976
• Molecular Formula: C₂₈H₃₃N₇O₂
• Molecular Weight: 499.62 g/mol
• Exact Mass: 499.27
• IUPAC Name: N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide
• SMILES: Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12
• InChI: InChI=1S/C28H33N7O2/c1-19-21(12-22(14-30-19)27(37)29-9-11-34-10-5-8-28(34,2)3)13-26(36)24-16-32-35-18-20(6-7-25(24)35)23-15-31-33(4)17-23/h6-7,12,14-18H,5,8-11,13H2,1-4H3,(H,29,37)
• InChIKey: SQZLQZLBGCLOHW-UHFFFAOYSA-N
• XLogP: 3.47
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	499.62
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?

The IUPAC name of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 146877976) is N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?

The canonical SMILES for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is Cc1ncc(C(=O)NCCN2CCCC2(C)C)cc1CC(=O)c1cnn2cc(-c3cnn(C)c3)ccc12.

What is the InChIKey of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?

The InChIKey is SQZLQZLBGCLOHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N7O2/c1-19-21(12-22(14-30-19)27(37)29-9-11-34-10-5-8-28(34,2)3)13-26(36)24-16-32-35-18-20(6-7-25(24)35)23-15-31-33(4)17-23/h6-7,12,14-18H,5,8-11,13H2,1-4H3,(H,29,37).

What are the key properties of N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide?

N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 499.62 g/mol, XLogP of 3.47, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-dimethylpyrrolidin-1-yl)ethyl]-6-methyl-5-[2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-3-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 146877976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146877976 — identifiers, structure, computed properties (public domain)

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