5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

C19H22N4 — CID 147382339

IUPAC5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=CC1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1
InChIInChI=1S/C19H22N4/c1-3-13-4-6-14(7-5-13)15-8-17-18(11-21-19(17)20-9-15)16-10-22-23(2)12-16/h3,8-14H,1,4-7H2,2H3,(H,20,21)
InChIKeyDLFJQIGPACNQQM-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.42
Rot. Bonds3

About 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine

5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 147382339) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID147382339
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESC=CC1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1
InChIInChI=1S/C19H22N4/c1-3-13-4-6-14(7-5-13)15-8-17-18(11-21-19(17)20-9-15)16-10-22-23(2)12-16/h3,8-14H,1,4-7H2,2H3,(H,20,21)
InChIKeyDLFJQIGPACNQQM-UHFFFAOYSA-N
XLogP4.42
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
CID 25024002
5-[4-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 25024004
5-[4-(3,3-difluoropyrrolidin-1-yl)cyclohexyl]-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238625
5-(cyclopenten-1-yl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59238861
3-(1-methylpyrazol-4-yl)-5-(1,2,3-trimethylpyrrolidin-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731803
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723
bis(N,N-dimethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine);bis(3-(1-methylpyrazol-4-yl)-5-(4-piperidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine);3-(1-methylpyrazol-4-yl)-5-[4-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 157145937
2-[[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol;2-[[4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]-propylamino]ethanol
CID 157165611
4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]-N-(2-ethoxyethyl)-N-ethylcyclohexan-1-amine;N-(2-ethoxyethyl)-N-ethyl-4-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 158870015
3-(1-methylpyrazol-4-yl)-5-[(E)-1-(2,2,3-trimethylcyclopropyl)but-1-enyl]-1H-pyrrolo[2,3-b]pyridine
CID 70295130
N,N-diethyl-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexan-1-amine
CID 143731812
2-methyl-3-[3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-azatricyclo[3.3.0.03,7]octan-4-ol
CID 163534518

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 147382339) is 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is C=CC1CCC(c2cnc3[nH]cc(-c4cnn(C)c4)c3c2)CC1.
What is the InChIKey of 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is DLFJQIGPACNQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-3-13-4-6-14(7-5-13)15-8-17-18(11-21-19(17)20-9-15)16-10-22-23(2)12-16/h3,8-14H,1,4-7H2,2H3,(H,20,21).
What are the key properties of 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethenylcyclohexyl)-3-(1-methylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 147382339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).