N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

C₂₃H₂₅N₇O₂ — CID 146161498

About N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide

N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 146161498) has the molecular formula C₂₃H₂₅N₇O₂ and a molecular weight of 431.50 g/mol. Its IUPAC name is N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 146161498
• Molecular Formula: C₂₃H₂₅N₇O₂
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.21
• IUPAC Name: N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN(C)CCNC(=O)c1cncc(NC(=O)c2cnn3cc(-c4ccn(C)c4)ccc23)c1
• InChI: InChI=1S/C23H25N7O2/c1-28(2)9-7-25-22(31)18-10-19(12-24-11-18)27-23(32)20-13-26-30-15-16(4-5-21(20)30)17-6-8-29(3)14-17/h4-6,8,10-15H,7,9H2,1-3H3,(H,25,31)(H,27,32)
• InChIKey: GHHXSJPIIIDTPI-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 96.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide (CID 146161498) is N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(NC(=O)c2cnn3cc(-c4ccn(C)c4)ccc23)c1.

What is the InChIKey of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is GHHXSJPIIIDTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-28(2)9-7-25-22(31)18-10-19(12-24-11-18)27-23(32)20-13-26-30-15-16(4-5-21(20)30)17-6-8-29(3)14-17/h4-6,8,10-15H,7,9H2,1-3H3,(H,25,31)(H,27,32).

What are the key properties of N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide?

N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 431.50 g/mol, XLogP of 2.28, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[2-(dimethylamino)ethylcarbamoyl]-3-pyridinyl]-6-(1-methylpyrrol-3-yl)pyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 146161498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 146161498 — identifiers, structure, computed properties (public domain)

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