N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

C35H35FN8O2 — CID 136643230

About N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide

N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (PubChem CID 136643230) has the molecular formula C35H35FN8O2 and a molecular weight of 618.72 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

• Compound Name: N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• PubChem CID: 136643230
• Molecular Formula: C35H35FN8O2
• Molecular Weight: 618.72 g/mol
• Exact Mass: 618.29
• IUPAC Name: N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide
• SMILES: CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1
• InChI: InChI=1S/C35H35FN8O2/c1-20(2)9-32(46)39-26-13-24(15-37-16-26)22-3-4-30-28(14-22)34(43-42-30)35-40-31-18-38-17-29(33(31)41-35)23-10-21(11-25(36)12-23)19-44-7-5-27(45)6-8-44/h3-4,10-18,20,27,45H,5-9,19H2,1-2H3,(H,39,46)(H,40,41)(H,42,43)
• InChIKey: RQDIFMJNYRQGAF-UHFFFAOYSA-N
• XLogP: 6.31
• TPSA: 135.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	618.72
LogP ≤ 5	6.31
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The IUPAC name of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide (CID 136643230) is N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide.

What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is CC(C)CC(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCC(O)CC7)c6)cncc5[nH]4)c3c2)c1.

What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

The InChIKey is RQDIFMJNYRQGAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35FN8O2/c1-20(2)9-32(46)39-26-13-24(15-37-16-26)22-3-4-30-28(14-22)34(43-42-30)35-40-31-18-38-17-29(33(31)41-35)23-10-21(11-25(36)12-23)19-44-7-5-27(45)6-8-44/h3-4,10-18,20,27,45H,5-9,19H2,1-2H3,(H,39,46)(H,40,41)(H,42,43).

What are the key properties of N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide?

N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide has a molecular weight of 618.72 g/mol, XLogP of 6.31, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-[7-[3-fluoro-5-[(4-hydroxypiperidin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 136643230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).