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

C21H27N5 — CID 25024002

IUPAC3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCC5)CC4)cc23)cn1
InChIInChI=1S/C21H27N5/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-4-6-18(7-5-15)26-8-2-3-9-26/h10-15,18H,2-9H2,1H3,(H,22,23)
InChIKeyHLUDAEPXKRDDRB-UHFFFAOYSA-N
MW349.48 g/mol
LogP4.09
Rot. Bonds3

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

3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 25024002) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID25024002
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC Name3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCC5)CC4)cc23)cn1
InChIInChI=1S/C21H27N5/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-4-6-18(7-5-15)26-8-2-3-9-26/h10-15,18H,2-9H2,1H3,(H,22,23)
InChIKeyHLUDAEPXKRDDRB-UHFFFAOYSA-N
XLogP4.09
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-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

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine (CID 25024002) is 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine is Cn1cc(-c2c[nH]c3ncc(C4CCC(N5CCCC5)CC4)cc23)cn1.
What is the InChIKey of 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is HLUDAEPXKRDDRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5/c1-25-14-17(12-24-25)20-13-23-21-19(20)10-16(11-22-21)15-4-6-18(7-5-15)26-8-2-3-9-26/h10-15,18H,2-9H2,1H3,(H,22,23).
What are the key properties of 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine?
3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 349.48 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylpyrazol-4-yl)-5-(4-pyrrolidin-1-ylcyclohexyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 25024002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).