3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide

C24H22ClN5O4S — CID 25055473

IUPAC3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1cc(C(N)=O)nc2c1[nH]c(=O)n2-c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl
InChIInChI=1S/C24H22ClN5O4S/c1-14-12-18(22(26)31)27-23-21(14)28-24(32)30(23)20-13-16(9-10-17(20)25)35(33,34)29-11-5-4-7-15-6-2-3-8-19(15)29/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H2,26,31)(H,28,32)
InChIKeyFAQJHYYVVKEMJX-UHFFFAOYSA-N
MW511.99 g/mol
LogP3.31
Rot. Bonds4

About 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide

3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide (PubChem CID 25055473) has the molecular formula C24H22ClN5O4S and a molecular weight of 511.99 g/mol. Its IUPAC name is 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide
PubChem CID25055473
Molecular FormulaC24H22ClN5O4S
Molecular Weight511.99 g/mol
Exact Mass511.11
IUPAC Name3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide
SMILESCc1cc(C(N)=O)nc2c1[nH]c(=O)n2-c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl
InChIInChI=1S/C24H22ClN5O4S/c1-14-12-18(22(26)31)27-23-21(14)28-24(32)30(23)20-13-16(9-10-17(20)25)35(33,34)29-11-5-4-7-15-6-2-3-8-19(15)29/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H2,26,31)(H,28,32)
InChIKeyFAQJHYYVVKEMJX-UHFFFAOYSA-N
XLogP3.31
TPSA131.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.99
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide with MolForge

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Related Compounds

3-[2-chloro-4-hydroxy-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 59309795
3-[2-chloro-5-(5,6,7,8-tetrahydrothieno[3,2-b]azepin-4-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 25057304
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-2-oxo-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59310085
3-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-7-methyl-2,4-dioxo-1H-thieno[3,4-d]pyrimidine-5-carboxylic acid
CID 58022266
3-[2-chloro-5-[(8-fluoro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)sulfonyl]-4-methoxyphenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxylic acid
CID 25057548
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoate
CID 2342108
2-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]isoindole-1,3-dione
CID 168517724
5-(2,3-dihydroindol-1-ylsulfonyl)-2-methylbenzamide
CID 2174045
ethyl N-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]carbamate
CID 58794318
[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55589053
dimethyl 1-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]azepine-2,3-dicarboxylate
CID 168648120
2-chloro-N'-[2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)phenyl]ethanimidamide
CID 169367214

Frequently Asked Questions

What is the IUPAC name of 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The IUPAC name of 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide (CID 25055473) is 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The canonical SMILES for 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide is Cc1cc(C(N)=O)nc2c1[nH]c(=O)n2-c1cc(S(=O)(=O)N2CCCCc3ccccc32)ccc1Cl.
What is the InChIKey of 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide?
The InChIKey is FAQJHYYVVKEMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O4S/c1-14-12-18(22(26)31)27-23-21(14)28-24(32)30(23)20-13-16(9-10-17(20)25)35(33,34)29-11-5-4-7-15-6-2-3-8-19(15)29/h2-3,6,8-10,12-13H,4-5,7,11H2,1H3,(H2,26,31)(H,28,32).
What are the key properties of 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide?
3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide has a molecular weight of 511.99 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-chloro-5-(2,3,4,5-tetrahydro-1-benzazepin-1-ylsulfonyl)phenyl]-7-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-5-carboxamide is sourced from PubChem (CID 25055473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).