1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone

C17H22N2O2 — CID 142589954

IUPAC1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CC2CCC(O)CC2)c2ncccc12
InChIInChI=1S/C17H22N2O2/c1-11-16(12(2)20)15-4-3-9-18-17(15)19(11)10-13-5-7-14(21)8-6-13/h3-4,9,13-14,21H,5-8,10H2,1-2H3
InChIKeyVCNLUINCLJPSAZ-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.10
Rot. Bonds3

About 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone

1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone (PubChem CID 142589954) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
PubChem CID142589954
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone
SMILESCC(=O)c1c(C)n(CC2CCC(O)CC2)c2ncccc12
InChIInChI=1S/C17H22N2O2/c1-11-16(12(2)20)15-4-3-9-18-17(15)19(11)10-13-5-7-14(21)8-6-13/h3-4,9,13-14,21H,5-8,10H2,1-2H3
InChIKeyVCNLUINCLJPSAZ-UHFFFAOYSA-N
XLogP3.10
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone with MolForge

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Related Compounds

ethane;ethyl 2-methyl-1-[(4-oxocyclohexyl)methyl]pyrrolo[2,3-b]pyridine-3-carboxylate
CID 142589918
ethyl 1-[1-(4-hydroxycyclohexyl)ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylate
CID 166666514
3-(cyclopropylmethyl)-1H-imidazo[4,5-b]pyridin-2-one
CID 121199602
1-[1-[4-[(3,3-difluoroazetidin-1-yl)methyl]cyclohexyl]ethyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 175186567
4-[(2,5-dimethylpyrrol-1-yl)methyl]cyclohexan-1-ol
CID 106131776
2-cyclopropyl-1-methylpyrrolo[2,3-b]pyridine-3-carboxylic acid
CID 84681728
1-[3-(cyclopropylmethyl)-2-methylimidazol-4-yl]ethanone
CID 68882473
ethyl 1-ethyl-4-hydroxy-2-oxo-1,8-naphthyridine-3-carboxylate
CID 54696180
3-bromo-N-[5-tert-butyl-3-(cyclopropylmethyl)-4-methyl-1,3-thiazol-2-ylidene]pyridine-2-carboxamide
CID 59865923
N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N,2-dimethylbenzamide
CID 18734184
1-(3-methylazetidin-1-yl)-2-(3-methylpyrazolo[5,4-b]pyridin-1-yl)ethanone
CID 166256644
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone?
The IUPAC name of 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone (CID 142589954) is 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone?
The canonical SMILES for 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone is CC(=O)c1c(C)n(CC2CCC(O)CC2)c2ncccc12.
What is the InChIKey of 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone?
The InChIKey is VCNLUINCLJPSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-16(12(2)20)15-4-3-9-18-17(15)19(11)10-13-5-7-14(21)8-6-13/h3-4,9,13-14,21H,5-8,10H2,1-2H3.
What are the key properties of 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone?
1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone has a molecular weight of 286.38 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-hydroxycyclohexyl)methyl]-2-methylpyrrolo[2,3-b]pyridin-3-yl]ethanone is sourced from PubChem (CID 142589954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).