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

C18H22N4 — CID 67600745

IUPAC5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1nc2[nH]cc(-c3cn[nH]c3)c2cc1CCC1CCCCC1
InChIInChI=1S/C18H22N4/c1-2-4-13(5-3-1)6-7-14-8-16-17(15-10-21-22-11-15)12-20-18(16)19-9-14/h8-13H,1-7H2,(H,19,20)(H,21,22)
InChIKeyYRVSPBSPYPJCPA-UHFFFAOYSA-N
MW294.40 g/mol
LogP4.47
Rot. Bonds4

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

5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 67600745) has the molecular formula C18H22N4 and a molecular weight of 294.40 g/mol. Its IUPAC name is 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID67600745
Molecular FormulaC18H22N4
Molecular Weight294.40 g/mol
Exact Mass294.18
IUPAC Name5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1nc2[nH]cc(-c3cn[nH]c3)c2cc1CCC1CCCCC1
InChIInChI=1S/C18H22N4/c1-2-4-13(5-3-1)6-7-14-8-16-17(15-10-21-22-11-15)12-20-18(16)19-9-14/h8-13H,1-7H2,(H,19,20)(H,21,22)
InChIKeyYRVSPBSPYPJCPA-UHFFFAOYSA-N
XLogP4.47
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclohexylmethyl)-4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzamide
CID 59811916
2-[[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]amino]ethanol
CID 143731790
5-[4-(4-methylpiperazin-1-yl)cyclohexyl]-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 143731723
4-[4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]morpholine
CID 59811985
4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N-pyrrolidin-1-ylbenzamide
CID 59812069
N-[[4-methoxy-3-(1H-pyrazol-4-yl)phenyl]methyl]cyclohexanamine
CID 39756596
4-butyl-N-methyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 141339665
6-chloro-N-cyclohexyl-4-(5-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyridin-2-amine
CID 87191460
4-(2-cyclohexylethyl)-1H-pyrimidin-6-one
CID 137025535
4-N-[6-chloro-4-(5-prop-2-ynoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]cyclohexane-1,4-diamine
CID 87191625
[4-ethyl-6-[5-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-yl]methanamine
CID 67403554
N-(cyclopentylmethyl)-1H-pyrazol-4-amine
CID 62071556

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine (CID 67600745) is 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is c1nc2[nH]cc(-c3cn[nH]c3)c2cc1CCC1CCCCC1.
What is the InChIKey of 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is YRVSPBSPYPJCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4/c1-2-4-13(5-3-1)6-7-14-8-16-17(15-10-21-22-11-15)12-20-18(16)19-9-14/h8-13H,1-7H2,(H,19,20)(H,21,22).
What are the key properties of 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine?
5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 294.40 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclohexylethyl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67600745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).