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

C25H29N5O3S — CID 122602815

IUPACN-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CN(C(=O)NC2CCCC2)CC=C1c1c[nH]c2ncc(-c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C25H29N5O3S/c1-16-15-30(25(31)29-19-6-2-3-7-19)10-9-21(16)23-14-28-24-22(23)12-18(13-27-24)17-5-4-8-20(11-17)34(26,32)33/h4-5,8-9,11-14,16,19H,2-3,6-7,10,15H2,1H3,(H,27,28)(H,29,31)(H2,26,32,33)
InChIKeyDAQRQAUGYIRGLK-UHFFFAOYSA-N
MW479.61 g/mol
LogP3.86
Rot. Bonds4

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

N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 122602815) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID122602815
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC NameN-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCC1CN(C(=O)NC2CCCC2)CC=C1c1c[nH]c2ncc(-c3cccc(S(N)(=O)=O)c3)cc12
InChIInChI=1S/C25H29N5O3S/c1-16-15-30(25(31)29-19-6-2-3-7-19)10-9-21(16)23-14-28-24-22(23)12-18(13-27-24)17-5-4-8-20(11-17)34(26,32)33/h4-5,8-9,11-14,16,19H,2-3,6-7,10,15H2,1H3,(H,27,28)(H,29,31)(H2,26,32,33)
InChIKeyDAQRQAUGYIRGLK-UHFFFAOYSA-N
XLogP3.86
TPSA121.18 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 ≤ 53.86
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
N-cyclopentyl-4-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602778
N-cyclopentyl-4-[5-[3-(2-morpholin-4-ylethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122602744
3-[3-[2-chloro-6-[[4-(cyclopropylsulfonylamino)cyclohexyl]amino]-4-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]benzenesulfonamide
CID 87191395
[4-[5-(3-morpholin-4-ylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridin-1-yl]-thiophen-2-ylmethanone
CID 122602820
4-[5-(3-propoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
CID 122602840
4-[3-[3-cyano-4-(oxan-4-yloxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-cyclopentyl-3,6-dihydro-2H-pyridine-1-carboxamide
CID 72943216
4-[5-(3-carbamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoic acid
CID 11952995
N-cyclohexyl-2-[3-(furan-3-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59812101
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162
tert-butyl 4-[5-(4-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 122602748
N-cyclopentyl-6-methyl-4-[5-[5-(morpholin-4-ylmethyl)thiophen-2-yl]-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 122603007

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 122602815) is N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1CN(C(=O)NC2CCCC2)CC=C1c1c[nH]c2ncc(-c3cccc(S(N)(=O)=O)c3)cc12.
What is the InChIKey of N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is DAQRQAUGYIRGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-16-15-30(25(31)29-19-6-2-3-7-19)10-9-21(16)23-14-28-24-22(23)12-18(13-27-24)17-5-4-8-20(11-17)34(26,32)33/h4-5,8-9,11-14,16,19H,2-3,6-7,10,15H2,1H3,(H,27,28)(H,29,31)(H2,26,32,33).
What are the key properties of N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?
N-cyclopentyl-3-methyl-4-[5-(3-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 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-methyl-4-[5-(3-sulfamoylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 122602815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).