N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

C34H33FN8O — CID 136643226

IUPACN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H33FN8O/c1-20(2)34(44)38-26-13-24(15-36-16-26)22-6-7-29-27(14-22)32(42-41-29)33-39-30-18-37-17-28(31(30)40-33)23-10-21(11-25(35)12-23)19-43-8-4-3-5-9-43/h6-7,10-18,20H,3-5,8-9,19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42)
InChIKeyVUVZVTOJUKYBHT-UHFFFAOYSA-N
MW588.69 g/mol
LogP6.95
Rot. Bonds7

About N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide

N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (PubChem CID 136643226) has the molecular formula C34H33FN8O and a molecular weight of 588.69 g/mol. Its IUPAC name is N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
PubChem CID136643226
Molecular FormulaC34H33FN8O
Molecular Weight588.69 g/mol
Exact Mass588.28
IUPAC NameN-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1
InChIInChI=1S/C34H33FN8O/c1-20(2)34(44)38-26-13-24(15-36-16-26)22-6-7-29-27(14-22)32(42-41-29)33-39-30-18-37-17-28(31(30)40-33)23-10-21(11-25(35)12-23)19-43-8-4-3-5-9-43/h6-7,10-18,20H,3-5,8-9,19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42)
InChIKeyVUVZVTOJUKYBHT-UHFFFAOYSA-N
XLogP6.95
TPSA115.48 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500588.69
LogP ≤ 56.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The IUPAC name of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide (CID 136643226) is N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide.
What is the SMILES notation for N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The canonical SMILES for N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is CC(C)C(=O)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cc(F)cc(CN7CCCCC7)c6)cncc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
The InChIKey is VUVZVTOJUKYBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33FN8O/c1-20(2)34(44)38-26-13-24(15-36-16-26)22-6-7-29-27(14-22)32(42-41-29)33-39-30-18-37-17-28(31(30)40-33)23-10-21(11-25(35)12-23)19-43-8-4-3-5-9-43/h6-7,10-18,20H,3-5,8-9,19H2,1-2H3,(H,38,44)(H,39,40)(H,41,42).
What are the key properties of N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide?
N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide has a molecular weight of 588.69 g/mol, XLogP of 6.95, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-methylpropanamide is sourced from PubChem (CID 136643226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).