N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide

C33H32N6O2S — CID 145252635

IUPACN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide
SMILESCC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6=CNCC(NC(=O)CC7CCCCC7)=C6)cc45)cc23)s1
InChIInChI=1S/C33H32N6O2S/c1-19(40)30-9-10-31(42-30)26-17-35-18-29-24(26)14-28(37-29)33-25-13-21(7-8-27(25)38-39-33)22-12-23(16-34-15-22)36-32(41)11-20-5-3-2-4-6-20/h7-10,12-15,17-18,20,34,37H,2-6,11,16H2,1H3,(H,36,41)(H,38,39)
InChIKeyCVTDRDVRJDVZFO-UHFFFAOYSA-N
MW576.73 g/mol
LogP6.95
Rot. Bonds7

About N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide

N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide (PubChem CID 145252635) has the molecular formula C33H32N6O2S and a molecular weight of 576.73 g/mol. Its IUPAC name is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide
PubChem CID145252635
Molecular FormulaC33H32N6O2S
Molecular Weight576.73 g/mol
Exact Mass576.23
IUPAC NameN-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide
SMILESCC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6=CNCC(NC(=O)CC7CCCCC7)=C6)cc45)cc23)s1
InChIInChI=1S/C33H32N6O2S/c1-19(40)30-9-10-31(42-30)26-17-35-18-29-24(26)14-28(37-29)33-25-13-21(7-8-27(25)38-39-33)22-12-23(16-34-15-22)36-32(41)11-20-5-3-2-4-6-20/h7-10,12-15,17-18,20,34,37H,2-6,11,16H2,1H3,(H,36,41)(H,38,39)
InChIKeyCVTDRDVRJDVZFO-UHFFFAOYSA-N
XLogP6.95
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.73
LogP ≤ 56.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide 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-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide?
The IUPAC name of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide (CID 145252635) is N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide?
The canonical SMILES for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide is CC(=O)c1ccc(-c2cncc3[nH]c(-c4n[nH]c5ccc(C6=CNCC(NC(=O)CC7CCCCC7)=C6)cc45)cc23)s1.
What is the InChIKey of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide?
The InChIKey is CVTDRDVRJDVZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32N6O2S/c1-19(40)30-9-10-31(42-30)26-17-35-18-29-24(26)14-28(37-29)33-25-13-21(7-8-27(25)38-39-33)22-12-23(16-34-15-22)36-32(41)11-20-5-3-2-4-6-20/h7-10,12-15,17-18,20,34,37H,2-6,11,16H2,1H3,(H,36,41)(H,38,39).
What are the key properties of N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide?
N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide has a molecular weight of 576.73 g/mol, XLogP of 6.95, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(5-acetylthiophen-2-yl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-indazol-5-yl]-1,2-dihydropyridin-3-yl]-2-cyclohexylacetamide is sourced from PubChem (CID 145252635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).