4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

C20H26N8 — CID 73296264

IUPAC4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCC1CCCN1c1nc2c(c(-c3ccnn3C)c1-c1nn[nH]n1)CCCCC2
InChIInChI=1S/C20H26N8/c1-13-7-6-12-28(13)20-18(19-23-25-26-24-19)17(16-10-11-21-27(16)2)14-8-4-3-5-9-15(14)22-20/h10-11,13H,3-9,12H2,1-2H3,(H,23,24,25,26)
InChIKeyXDYCASUSHQEWAQ-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.92
Rot. Bonds3

About 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine

4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (PubChem CID 73296264) has the molecular formula C20H26N8 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.

Molecular Properties

Compound Name4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID73296264
Molecular FormulaC20H26N8
Molecular Weight378.48 g/mol
Exact Mass378.23
IUPAC Name4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
SMILESCC1CCCN1c1nc2c(c(-c3ccnn3C)c1-c1nn[nH]n1)CCCCC2
InChIInChI=1S/C20H26N8/c1-13-7-6-12-28(13)20-18(19-23-25-26-24-19)17(16-10-11-21-27(16)2)14-8-4-3-5-9-15(14)22-20/h10-11,13H,3-9,12H2,1-2H3,(H,23,24,25,26)
InChIKeyXDYCASUSHQEWAQ-UHFFFAOYSA-N
XLogP2.92
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[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-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The IUPAC name of 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine (CID 73296264) is 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine.
What is the SMILES notation for 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The canonical SMILES for 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is CC1CCCN1c1nc2c(c(-c3ccnn3C)c1-c1nn[nH]n1)CCCCC2.
What is the InChIKey of 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
The InChIKey is XDYCASUSHQEWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N8/c1-13-7-6-12-28(13)20-18(19-23-25-26-24-19)17(16-10-11-21-27(16)2)14-8-4-3-5-9-15(14)22-20/h10-11,13H,3-9,12H2,1-2H3,(H,23,24,25,26).
What are the key properties of 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine?
4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine has a molecular weight of 378.48 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpyrazol-3-yl)-2-(2-methylpyrrolidin-1-yl)-3-(2H-tetrazol-5-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine is sourced from PubChem (CID 73296264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).