5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

C21H31N3O2 — CID 45219508

IUPAC5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCC(C)c1n[nH]c2c1CN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C21H31N3O2/c1-3-6-15(2)21-17-14-24(11-10-18(17)22-23-21)13-16-8-9-20(26-16)19-7-4-5-12-25-19/h8-9,15,19H,3-7,10-14H2,1-2H3,(H,22,23)
InChIKeyMZUGPDVKLYDSDC-UHFFFAOYSA-N
MW357.50 g/mol
LogP4.71
Rot. Bonds6

About 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine

5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (PubChem CID 45219508) has the molecular formula C21H31N3O2 and a molecular weight of 357.50 g/mol. Its IUPAC name is 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
PubChem CID45219508
Molecular FormulaC21H31N3O2
Molecular Weight357.50 g/mol
Exact Mass357.24
IUPAC Name5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine
SMILESCCCC(C)c1n[nH]c2c1CN(Cc1ccc(C3CCCCO3)o1)CC2
InChIInChI=1S/C21H31N3O2/c1-3-6-15(2)21-17-14-24(11-10-18(17)22-23-21)13-16-8-9-20(26-16)19-7-4-5-12-25-19/h8-9,15,19H,3-7,10-14H2,1-2H3,(H,22,23)
InChIKeyMZUGPDVKLYDSDC-UHFFFAOYSA-N
XLogP4.71
TPSA54.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]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 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The IUPAC name of 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine (CID 45219508) is 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine.
What is the SMILES notation for 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The canonical SMILES for 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is CCCC(C)c1n[nH]c2c1CN(Cc1ccc(C3CCCCO3)o1)CC2.
What is the InChIKey of 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
The InChIKey is MZUGPDVKLYDSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3O2/c1-3-6-15(2)21-17-14-24(11-10-18(17)22-23-21)13-16-8-9-20(26-16)19-7-4-5-12-25-19/h8-9,15,19H,3-7,10-14H2,1-2H3,(H,22,23).
What are the key properties of 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine?
5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine has a molecular weight of 357.50 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(oxan-2-yl)furan-2-yl]methyl]-3-pentan-2-yl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine is sourced from PubChem (CID 45219508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).