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

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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).