6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C33H28FN5O2S — CID 130248224

IUPAC6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn(C)nc3C3CC3)n1)CC2
InChIInChI=1S/C33H28FN5O2S/c1-19-7-5-9-24(34)29(19)36-32(40)28-17-21-15-16-39(27-12-4-3-8-22(27)31(21)42-28)33(41)26-11-6-10-25(35-26)23-18-38(2)37-30(23)20-13-14-20/h3-12,17-18,20H,13-16H2,1-2H3,(H,36,40)
InChIKeyIBYPRRCWRNJAKQ-UHFFFAOYSA-N
MW577.69 g/mol
LogP6.99
Rot. Bonds5

About 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248224) has the molecular formula C33H28FN5O2S and a molecular weight of 577.69 g/mol. Its IUPAC name is 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID130248224
Molecular FormulaC33H28FN5O2S
Molecular Weight577.69 g/mol
Exact Mass577.19
IUPAC Name6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn(C)nc3C3CC3)n1)CC2
InChIInChI=1S/C33H28FN5O2S/c1-19-7-5-9-24(34)29(19)36-32(40)28-17-21-15-16-39(27-12-4-3-8-22(27)31(21)42-28)33(41)26-11-6-10-25(35-26)23-18-38(2)37-30(23)20-13-14-20/h3-12,17-18,20H,13-16H2,1-2H3,(H,36,40)
InChIKeyIBYPRRCWRNJAKQ-UHFFFAOYSA-N
XLogP6.99
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.69
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide 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 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248224) is 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(-c3cn(C)nc3C3CC3)n1)CC2.
What is the InChIKey of 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is IBYPRRCWRNJAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28FN5O2S/c1-19-7-5-9-24(34)29(19)36-32(40)28-17-21-15-16-39(27-12-4-3-8-22(27)31(21)42-28)33(41)26-11-6-10-25(35-26)23-18-38(2)37-30(23)20-13-14-20/h3-12,17-18,20H,13-16H2,1-2H3,(H,36,40).
What are the key properties of 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 577.69 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130248224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).