6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C25H29N5O3S — CID 138475782

IUPAC6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1[nH]c2ncc(-c3ccc(S(N)(=O)=O)cc3)cc2c1C1=CC(C2CCCC2)N(C(N)=O)CC1
InChIInChI=1S/C25H29N5O3S/c1-15-23(18-10-11-30(25(26)31)22(13-18)17-4-2-3-5-17)21-12-19(14-28-24(21)29-15)16-6-8-20(9-7-16)34(27,32)33/h6-9,12-14,17,22H,2-5,10-11H2,1H3,(H2,26,31)(H,28,29)(H2,27,32,33)
InChIKeyMLRDHQQSADWWFO-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.91
Rot. Bonds4

About 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 138475782) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID138475782
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1[nH]c2ncc(-c3ccc(S(N)(=O)=O)cc3)cc2c1C1=CC(C2CCCC2)N(C(N)=O)CC1
InChIInChI=1S/C25H29N5O3S/c1-15-23(18-10-11-30(25(26)31)22(13-18)17-4-2-3-5-17)21-12-19(14-28-24(21)29-15)16-6-8-20(9-7-16)34(27,32)33/h6-9,12-14,17,22H,2-5,10-11H2,1H3,(H2,26,31)(H,28,29)(H2,27,32,33)
InChIKeyMLRDHQQSADWWFO-UHFFFAOYSA-N
XLogP3.91
TPSA135.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 53.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-4-[5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602755
5-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 91110177
4-(4-methylphenyl)-N-(4-sulfamoylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
CID 17416490
tert-butyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122602748
3-[2-methyl-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]phenol
CID 70648848
aminourea;4-methylbenzenesulfonamide
CID 174801132
tert-butyl 4-[5-(4-sulfamoylphenyl)pyrimidin-2-yl]piperidine-1-carboxylate
CID 141468048
4-[5-(4-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122603045
1-[2-[5-(4-methylphenyl)-1H-imidazol-2-yl]piperidin-1-yl]ethanone
CID 162721818
4-(3-methyl-4-oxo-2,5,6,7-tetrahydroisoindol-1-yl)benzenesulfonamide
CID 71811954
(4aS,8aS)-N-(4-sulfamoylphenyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 40874748
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432

Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 138475782) is 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1[nH]c2ncc(-c3ccc(S(N)(=O)=O)cc3)cc2c1C1=CC(C2CCCC2)N(C(N)=O)CC1.
What is the InChIKey of 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is MLRDHQQSADWWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-15-23(18-10-11-30(25(26)31)22(13-18)17-4-2-3-5-17)21-12-19(14-28-24(21)29-15)16-6-8-20(9-7-16)34(27,32)33/h6-9,12-14,17,22H,2-5,10-11H2,1H3,(H2,26,31)(H,28,29)(H2,27,32,33).
What are the key properties of 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 3.91, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-4-[2-methyl-5-(4-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 138475782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).