N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

C32H22FN7O2S — CID 136935883

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C32H22FN7O2S/c1-17(41)25-7-8-26(43-25)31-30-24(9-10-35-31)37-32(38-30)29-22-13-19(14-23(33)28(22)39-40-29)20-12-21(16-34-15-20)36-27(42)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,36,42)(H,37,38)(H,39,40)
InChIKeyMXEUVJCACSRTQA-UHFFFAOYSA-N
MW587.64 g/mol
LogP6.81
Rot. Bonds7

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136935883) has the molecular formula C32H22FN7O2S and a molecular weight of 587.64 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
PubChem CID136935883
Molecular FormulaC32H22FN7O2S
Molecular Weight587.64 g/mol
Exact Mass587.15
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
SMILESCC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1
InChIInChI=1S/C32H22FN7O2S/c1-17(41)25-7-8-26(43-25)31-30-24(9-10-35-31)37-32(38-30)29-22-13-19(14-23(33)28(22)39-40-29)20-12-21(16-34-15-20)36-27(42)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,36,42)(H,37,38)(H,39,40)
InChIKeyMXEUVJCACSRTQA-UHFFFAOYSA-N
XLogP6.81
TPSA129.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.64
LogP ≤ 56.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide 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-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 136935883) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is CC(=O)c1ccc(-c2nccc3[nH]c(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)Cc7ccccc7)c6)cc45)nc23)s1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is MXEUVJCACSRTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22FN7O2S/c1-17(41)25-7-8-26(43-25)31-30-24(9-10-35-31)37-32(38-30)29-22-13-19(14-23(33)28(22)39-40-29)20-12-21(16-34-15-20)36-27(42)11-18-5-3-2-4-6-18/h2-10,12-16H,11H2,1H3,(H,36,42)(H,37,38)(H,39,40).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 587.64 g/mol, XLogP of 6.81, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 136935883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).