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

C35H33FN8O3 — CID 156528793

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

N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide (PubChem CID 156528793) has the molecular formula C35H33FN8O3 and a molecular weight of 632.70 g/mol. Its IUPAC name is N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide
• PubChem CID: 156528793
• Molecular Formula: C35H33FN8O3
• Molecular Weight: 632.70 g/mol
• Exact Mass: 632.27
• IUPAC Name: N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide
• SMILES: CC(C)CC(=O)Nc1cncc(C(=O)Nc2ccc3c(c2)c(-c2nc4c(-c5ccccc5F)cncc4[nH]2)nn3C2CCCCO2)c1
• InChI: InChI=1S/C35H33FN8O3/c1-20(2)13-30(45)39-23-14-21(16-37-17-23)35(46)40-22-10-11-29-25(15-22)33(43-44(29)31-9-5-6-12-47-31)34-41-28-19-38-18-26(32(28)42-34)24-7-3-4-8-27(24)36/h3-4,7-8,10-11,14-20,31H,5-6,9,12-13H2,1-2H3,(H,39,45)(H,40,46)(H,41,42)
• InChIKey: CMPNVHRWPJMRMO-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 139.71 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 47
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	632.70
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide (CID 156528793) is N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide.

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

The canonical SMILES for N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide is CC(C)CC(=O)Nc1cncc(C(=O)Nc2ccc3c(c2)c(-c2nc4c(-c5ccccc5F)cncc4[nH]2)nn3C2CCCCO2)c1.

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

The InChIKey is CMPNVHRWPJMRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33FN8O3/c1-20(2)13-30(45)39-23-14-21(16-37-17-23)35(46)40-22-10-11-29-25(15-22)33(43-44(29)31-9-5-6-12-47-31)34-41-28-19-38-18-26(32(28)42-34)24-7-3-4-8-27(24)36/h3-4,7-8,10-11,14-20,31H,5-6,9,12-13H2,1-2H3,(H,39,45)(H,40,46)(H,41,42).

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

N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide has a molecular weight of 632.70 g/mol, XLogP of 7.11, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)indazol-5-yl]-5-(3-methylbutanoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 156528793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).