6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

C32H25F2N5O2S — CID 130248764

IUPAC6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3)n1)CC2
InChIInChI=1S/C32H25F2N5O2S/c1-17-4-2-5-23(34)28(17)37-31(40)27-14-19-12-13-39(26-15-20(33)10-11-21(26)30(19)42-27)32(41)25-7-3-6-24(36-25)22-16-35-38-29(22)18-8-9-18/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H,35,38)(H,37,40)
InChIKeyQROTWYJNPYYLOC-UHFFFAOYSA-N
MW581.65 g/mol
LogP7.12
Rot. Bonds5

About 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide

6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (PubChem CID 130248764) has the molecular formula C32H25F2N5O2S and a molecular weight of 581.65 g/mol. Its IUPAC name is 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.

Molecular Properties

Compound Name6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
PubChem CID130248764
Molecular FormulaC32H25F2N5O2S
Molecular Weight581.65 g/mol
Exact Mass581.17
IUPAC Name6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
SMILESCc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3)n1)CC2
InChIInChI=1S/C32H25F2N5O2S/c1-17-4-2-5-23(34)28(17)37-31(40)27-14-19-12-13-39(26-15-20(33)10-11-21(26)30(19)42-27)32(41)25-7-3-6-24(36-25)22-16-35-38-29(22)18-8-9-18/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H,35,38)(H,37,40)
InChIKeyQROTWYJNPYYLOC-UHFFFAOYSA-N
XLogP7.12
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.65
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The IUPAC name of 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide (CID 130248764) is 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide.
What is the SMILES notation for 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The canonical SMILES for 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is Cc1cccc(F)c1NC(=O)c1cc2c(s1)-c1ccc(F)cc1N(C(=O)c1cccc(-c3cn[nH]c3C3CC3)n1)CC2.
What is the InChIKey of 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
The InChIKey is QROTWYJNPYYLOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N5O2S/c1-17-4-2-5-23(34)28(17)37-31(40)27-14-19-12-13-39(26-15-20(33)10-11-21(26)30(19)42-27)32(41)25-7-3-6-24(36-25)22-16-35-38-29(22)18-8-9-18/h2-7,10-11,14-16,18H,8-9,12-13H2,1H3,(H,35,38)(H,37,40).
What are the key properties of 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide?
6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide has a molecular weight of 581.65 g/mol, XLogP of 7.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-cyclopropyl-1H-pyrazol-4-yl)pyridine-2-carbonyl]-8-fluoro-N-(2-fluoro-6-methylphenyl)-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide is sourced from PubChem (CID 130248764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).