N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

C12H15N7O2 — CID 79351978

About N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (PubChem CID 79351978) has the molecular formula C12H15N7O2 and a molecular weight of 289.30 g/mol. Its IUPAC name is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• PubChem CID: 79351978
• Molecular Formula: C12H15N7O2
• Molecular Weight: 289.30 g/mol
• Exact Mass: 289.13
• IUPAC Name: N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide
• SMILES: NC(=O)Cn1cc(NC(=O)C2Cc3nc[nH]c3CN2)cn1
• InChI: InChI=1S/C12H15N7O2/c13-11(20)5-19-4-7(2-17-19)18-12(21)9-1-8-10(3-14-9)16-6-15-8/h2,4,6,9,14H,1,3,5H2,(H2,13,20)(H,15,16)(H,18,21)
• InChIKey: ZRGGCFHMJMJYHW-UHFFFAOYSA-N
• XLogP: -1.26
• TPSA: 130.72 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	289.30
LogP ≤ 5	-1.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The IUPAC name of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide (CID 79351978) is N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide.

What is the SMILES notation for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The canonical SMILES for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is NC(=O)Cn1cc(NC(=O)C2Cc3nc[nH]c3CN2)cn1.

What is the InChIKey of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

The InChIKey is ZRGGCFHMJMJYHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7O2/c13-11(20)5-19-4-7(2-17-19)18-12(21)9-1-8-10(3-14-9)16-6-15-8/h2,4,6,9,14H,1,3,5H2,(H2,13,20)(H,15,16)(H,18,21).

What are the key properties of N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide?

N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide has a molecular weight of 289.30 g/mol, XLogP of -1.26, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine-6-carboxamide is sourced from PubChem (CID 79351978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).