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

C34H29FN6O3S — CID 130248419

IUPAC6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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(CC(N)=O)nc3C3CC3)n1)CC2
InChIInChI=1S/C34H29FN6O3S/c1-19-6-4-8-24(35)30(19)38-33(43)28-16-21-14-15-41(27-11-3-2-7-22(27)32(21)45-28)34(44)26-10-5-9-25(37-26)23-17-40(18-29(36)42)39-31(23)20-12-13-20/h2-11,16-17,20H,12-15,18H2,1H3,(H2,36,42)(H,38,43)
InChIKeyXTWHKADXJIXORM-UHFFFAOYSA-N
MW620.71 g/mol
LogP5.94
Rot. Bonds7

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

6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248419) has the molecular formula C34H29FN6O3S and a molecular weight of 620.71 g/mol. Its IUPAC name is 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID130248419
Molecular FormulaC34H29FN6O3S
Molecular Weight620.71 g/mol
Exact Mass620.20
IUPAC Name6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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(CC(N)=O)nc3C3CC3)n1)CC2
InChIInChI=1S/C34H29FN6O3S/c1-19-6-4-8-24(35)30(19)38-33(43)28-16-21-14-15-41(27-11-3-2-7-22(27)32(21)45-28)34(44)26-10-5-9-25(37-26)23-17-40(18-29(36)42)39-31(23)20-12-13-20/h2-11,16-17,20H,12-15,18H2,1H3,(H2,36,42)(H,38,43)
InChIKeyXTWHKADXJIXORM-UHFFFAOYSA-N
XLogP5.94
TPSA123.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.71
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248419) is 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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(CC(N)=O)nc3C3CC3)n1)CC2.
What is the InChIKey of 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is XTWHKADXJIXORM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H29FN6O3S/c1-19-6-4-8-24(35)30(19)38-33(43)28-16-21-14-15-41(27-11-3-2-7-22(27)32(21)45-28)34(44)26-10-5-9-25(37-26)23-17-40(18-29(36)42)39-31(23)20-12-13-20/h2-11,16-17,20H,12-15,18H2,1H3,(H2,36,42)(H,38,43).
What are the key properties of 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-4-yl]pyridine-2-carbonyl]-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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 620.71 g/mol, XLogP of 5.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[1-(2-amino-2-oxoethyl)-3-cyclopropylpyrazol-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 130248419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).