7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide

C22H20N4O4S — CID 66604540

IUPAC7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H20N4O4S/c23-22(27)17-13-18(14-4-2-1-3-5-14)24-20-16-7-6-15(12-19(16)25-21(17)20)31(28,29)26-8-10-30-11-9-26/h1-7,12-13,25H,8-11H2,(H2,23,27)
InChIKeyFYGPNOQCQCKANY-UHFFFAOYSA-N
MW436.49 g/mol
LogP2.50
Rot. Bonds4

About 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide

7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide (PubChem CID 66604540) has the molecular formula C22H20N4O4S and a molecular weight of 436.49 g/mol. Its IUPAC name is 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide.

Molecular Properties

Compound Name7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
PubChem CID66604540
Molecular FormulaC22H20N4O4S
Molecular Weight436.49 g/mol
Exact Mass436.12
IUPAC Name7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12
InChIInChI=1S/C22H20N4O4S/c23-22(27)17-13-18(14-4-2-1-3-5-14)24-20-16-7-6-15(12-19(16)25-21(17)20)31(28,29)26-8-10-30-11-9-26/h1-7,12-13,25H,8-11H2,(H2,23,27)
InChIKeyFYGPNOQCQCKANY-UHFFFAOYSA-N
XLogP2.50
TPSA118.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.49
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxylate
CID 66604846
2-bromo-7-morpholin-4-ylsulfonyl-5H-pyrido[3,2-b]indole-4-carboxylic acid
CID 87071639
2-(4-aminophenyl)-7-(morpholine-4-carbonyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 89054047
2-(3-chlorophenyl)-7-(morpholin-4-ylmethyl)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604426
2-(4-chlorophenyl)-7-(2-morpholin-4-ylethoxy)-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604854
N-(2-phenyl-5H-pyrido[3,2-b]indole-4-carbonyl)-1,4-oxazepane-4-carboxamide
CID 68753917
2-(3-chlorophenyl)-6-morpholin-4-ylsulfonylquinoline-4-carboxylic acid
CID 3618004
2-(benzylamino)-5-morpholin-4-ylsulfonylbenzamide
CID 171989528
2-(3-chloro-4-piperidin-4-yloxyphenyl)-7-morpholin-4-yl-5H-pyrido[3,2-b]indole-4-carboxamide
CID 66604352
6-morpholin-4-ylsulfonyl-2-oxo-1H-quinoline-4-carboxylic acid
CID 2338315
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 4663146
N-(2-chloro-5-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)quinoline-4-carboxamide
CID 4638958

Frequently Asked Questions

What is the IUPAC name of 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The IUPAC name of 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide (CID 66604540) is 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide.
What is the SMILES notation for 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The canonical SMILES for 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide is NC(=O)c1cc(-c2ccccc2)nc2c1[nH]c1cc(S(=O)(=O)N3CCOCC3)ccc12.
What is the InChIKey of 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
The InChIKey is FYGPNOQCQCKANY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4S/c23-22(27)17-13-18(14-4-2-1-3-5-14)24-20-16-7-6-15(12-19(16)25-21(17)20)31(28,29)26-8-10-30-11-9-26/h1-7,12-13,25H,8-11H2,(H2,23,27).
What are the key properties of 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide?
7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide has a molecular weight of 436.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-morpholin-4-ylsulfonyl-2-phenyl-5H-pyrido[3,2-b]indole-4-carboxamide is sourced from PubChem (CID 66604540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).