N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide

C29H25N9O2 — CID 156528570

About N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide

N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide (PubChem CID 156528570) has the molecular formula C29H25N9O2 and a molecular weight of 531.58 g/mol. Its IUPAC name is N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide
• PubChem CID: 156528570
• Molecular Formula: C29H25N9O2
• Molecular Weight: 531.58 g/mol
• Exact Mass: 531.21
• IUPAC Name: N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(NC(=O)c6ccccn6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C29H25N9O2/c1-16(2)9-25(39)33-19-10-18(12-30-13-19)17-6-7-21-20(11-17)26(38-37-21)28-34-23-14-31-15-24(27(23)36-28)35-29(40)22-5-3-4-8-32-22/h3-8,10-16H,9H2,1-2H3,(H,33,39)(H,34,36)(H,35,40)(H,37,38)
• InChIKey: NYJJZNYCPLNCMM-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 154.23 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	531.58
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide?

The IUPAC name of N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide (CID 156528570) is N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide?

The canonical SMILES for N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(NC(=O)c6ccccn6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide?

The InChIKey is NYJJZNYCPLNCMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N9O2/c1-16(2)9-25(39)33-19-10-18(12-30-13-19)17-6-7-21-20(11-17)26(38-37-21)28-34-23-14-31-15-24(27(23)36-28)35-29(40)22-5-3-4-8-32-22/h3-8,10-16H,9H2,1-2H3,(H,33,39)(H,34,36)(H,35,40)(H,37,38).

What are the key properties of N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide?

N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide has a molecular weight of 531.58 g/mol, XLogP of 5.20, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[5-[5-(3-methylbutanoylamino)-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]pyridine-2-carboxamide is sourced from PubChem (CID 156528570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).