(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone

C24H25N3O2S — CID 167045589

IUPAC(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone
SMILESCc1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(N3CCCOCC3)n1)CC2
InChIInChI=1S/C24H25N3O2S/c1-17-16-18-10-12-27(21-8-3-2-6-19(21)23(18)30-17)24(28)20-7-4-9-22(25-20)26-11-5-14-29-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyQRNNBJDBCURMMN-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.55
Rot. Bonds2

About (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone

(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone (PubChem CID 167045589) has the molecular formula C24H25N3O2S and a molecular weight of 419.55 g/mol. Its IUPAC name is (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone
PubChem CID167045589
Molecular FormulaC24H25N3O2S
Molecular Weight419.55 g/mol
Exact Mass419.17
IUPAC Name(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone
SMILESCc1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(N3CCCOCC3)n1)CC2
InChIInChI=1S/C24H25N3O2S/c1-17-16-18-10-12-27(21-8-3-2-6-19(21)23(18)30-17)24(28)20-7-4-9-22(25-20)26-11-5-14-29-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3
InChIKeyQRNNBJDBCURMMN-UHFFFAOYSA-N
XLogP4.55
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-(6-morpholin-4-yl-2-pyridinyl)methanone
CID 84573879
N-cyclopropyl-6-[6-[2-(1,4-oxazepan-4-yl)-3-pyridinyl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248798
N-cyclopropyl-6-[6-[(3S)-3-ethylmorpholin-4-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130249601
6-[6-(3-aminopyrrolidin-1-yl)pyridine-2-carbonyl]-N-cyclopropyl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247976
1-[6-[6-[4-(cyclopropanecarbonyl)-1,4-diazepan-1-yl]pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]-2-(2-fluoro-6-methylphenyl)ethanone
CID 158958494
6-[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonyl]-N-pyridin-2-yl-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130248436
1-cyclopropylsulfanyl-3-[6-[6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]urea
CID 167045409
N-cyclopropyl-6-[6-(3-morpholin-4-ylphenyl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 130247749
2-cyclopropyl-1-[6-[6-(oxan-4-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]ethanone
CID 153111127
2-cyclopropyl-1-[6-(2-morpholin-4-ylquinoline-7-carbonyl)-4,5-dihydrothieno[3,2-d][1]benzazepin-2-yl]ethanone
CID 159495194
N-(2-fluoro-6-methylphenyl)-6-[6-(2-methyl-1-oxo-1,2,5-thiadiazepan-5-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 167045559
N-(2-fluoro-6-methylphenyl)-6-[6-(1-thia-6-azaspiro[3.3]heptan-6-yl)pyridine-2-carbonyl]-4,5-dihydrothieno[3,2-d][1]benzazepine-2-carboxamide
CID 167045389

Frequently Asked Questions

What is the IUPAC name of (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone?
The IUPAC name of (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone (CID 167045589) is (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone.
What is the SMILES notation for (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone?
The canonical SMILES for (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone is Cc1cc2c(s1)-c1ccccc1N(C(=O)c1cccc(N3CCCOCC3)n1)CC2.
What is the InChIKey of (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone?
The InChIKey is QRNNBJDBCURMMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2S/c1-17-16-18-10-12-27(21-8-3-2-6-19(21)23(18)30-17)24(28)20-7-4-9-22(25-20)26-11-5-14-29-15-13-26/h2-4,6-9,16H,5,10-15H2,1H3.
What are the key properties of (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone?
(2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone has a molecular weight of 419.55 g/mol, XLogP of 4.55, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4,5-dihydrothieno[3,2-d][1]benzazepin-6-yl)-[6-(1,4-oxazepan-4-yl)-2-pyridinyl]methanone is sourced from PubChem (CID 167045589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).