2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine

C20H21N3O2S — CID 67228581

IUPAC2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cccnc3[nH]2)nc1
InChIInChI=1S/C20H21N3O2S/c1-26(24,25)16-8-9-18(22-13-16)17(11-14-5-2-3-6-14)19-12-15-7-4-10-21-20(15)23-19/h4,7-14H,2-3,5-6H2,1H3,(H,21,23)/b17-11+
InChIKeyQYRBEJBGNJCOBD-GZTJUZNOSA-N
MW367.47 g/mol
LogP3.98
Rot. Bonds4

About 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine

2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67228581) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID67228581
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCS(=O)(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cccnc3[nH]2)nc1
InChIInChI=1S/C20H21N3O2S/c1-26(24,25)16-8-9-18(22-13-16)17(11-14-5-2-3-6-14)19-12-15-7-4-10-21-20(15)23-19/h4,7-14H,2-3,5-6H2,1H3,(H,21,23)/b17-11+
InChIKeyQYRBEJBGNJCOBD-GZTJUZNOSA-N
XLogP3.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228582
2-[2-cyclopentyl-1-(6-methylsulfonyl-3-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229120
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxylic acid
CID 67228625
4-[(Z)-2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]-N,N-dimethylaniline
CID 67227939
2-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethenyl]phenyl]acetaldehyde
CID 123810534
2-[(Z)-3,3-dimethyl-1-(4-methylsulfonylphenyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 67229174
2-[2-cyclopentyl-2-(5-methylsulfonyl-2-pyridinyl)ethyl]-1H-pyrrolo[2,3-b]pyridine
CID 67256254
2-[1-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-cyclopentylethenyl]-1H-pyrrolo[2,3-b]pyridine
CID 67228275
1-[(2S)-2-methyl-6-(4-methylsulfonylphenyl)-4-(1H-pyrrolo[2,3-b]pyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079753
2-[(Z)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
CID 124667426
2-[(E)-2-cyclopentyl-1-(4-methylsulfonylphenyl)ethenyl]-5-(trifluoromethyl)-1H-imidazole
CID 71748367
N-[4-[2-cyclopentyl-1-(1H-pyrrolo[2,3-b]pyridin-2-yl)ethyl]phenyl]methanesulfonamide
CID 53251719

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine (CID 67228581) is 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine is CS(=O)(=O)c1ccc(/C(=C\C2CCCC2)c2cc3cccnc3[nH]2)nc1.
What is the InChIKey of 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is QYRBEJBGNJCOBD-GZTJUZNOSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-26(24,25)16-8-9-18(22-13-16)17(11-14-5-2-3-6-14)19-12-15-7-4-10-21-20(15)23-19/h4,7-14H,2-3,5-6H2,1H3,(H,21,23)/b17-11+.
What are the key properties of 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine?
2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 367.47 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-cyclopentyl-1-(5-methylsulfonyl-2-pyridinyl)ethenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67228581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).