4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

C14H14N4 — CID 44625835

IUPAC4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-n2cc3c(n2)CCCC3)c2cc[nH]c2n1
InChIInChI=1S/C14H14N4/c1-2-4-12-10(3-1)9-18(17-12)13-6-8-16-14-11(13)5-7-15-14/h5-9H,1-4H2,(H,15,16)
InChIKeyOXNOAPGVNPMWOT-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.63
Rot. Bonds1

About 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine

4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 44625835) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID44625835
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine
SMILESc1cc(-n2cc3c(n2)CCCC3)c2cc[nH]c2n1
InChIInChI=1S/C14H14N4/c1-2-4-12-10(3-1)9-18(17-12)13-6-8-16-14-11(13)5-7-15-14/h5-9H,1-4H2,(H,15,16)
InChIKeyOXNOAPGVNPMWOT-UHFFFAOYSA-N
XLogP2.63
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4,5,6,7-tetrahydroindazol-2-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

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine (CID 44625835) is 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is c1cc(-n2cc3c(n2)CCCC3)c2cc[nH]c2n1.
What is the InChIKey of 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is OXNOAPGVNPMWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-4-12-10(3-1)9-18(17-12)13-6-8-16-14-11(13)5-7-15-14/h5-9H,1-4H2,(H,15,16).
What are the key properties of 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine?
4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 238.29 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydroindazol-2-yl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 44625835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).