1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

C19H26N4O2 — CID 118747137

IUPAC1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1ccc(Cn2cc3c(n2)C(CNCC2CCOCC2)OCC3)nc1
InChIInChI=1S/C19H26N4O2/c1-2-7-21-17(3-1)14-23-13-16-6-10-25-18(19(16)22-23)12-20-11-15-4-8-24-9-5-15/h1-3,7,13,15,18,20H,4-6,8-12,14H2
InChIKeyXSXAAQLQNWQWBH-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.96
Rot. Bonds6

About 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine

1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (PubChem CID 118747137) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
PubChem CID118747137
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine
SMILESc1ccc(Cn2cc3c(n2)C(CNCC2CCOCC2)OCC3)nc1
InChIInChI=1S/C19H26N4O2/c1-2-7-21-17(3-1)14-23-13-16-6-10-25-18(19(16)22-23)12-20-11-15-4-8-24-9-5-15/h1-3,7,13,15,18,20H,4-6,8-12,14H2
InChIKeyXSXAAQLQNWQWBH-UHFFFAOYSA-N
XLogP1.96
TPSA61.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine 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 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The IUPAC name of 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine (CID 118747137) is 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine.
What is the SMILES notation for 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The canonical SMILES for 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is c1ccc(Cn2cc3c(n2)C(CNCC2CCOCC2)OCC3)nc1.
What is the InChIKey of 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
The InChIKey is XSXAAQLQNWQWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-7-21-17(3-1)14-23-13-16-6-10-25-18(19(16)22-23)12-20-11-15-4-8-24-9-5-15/h1-3,7,13,15,18,20H,4-6,8-12,14H2.
What are the key properties of 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine?
1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine has a molecular weight of 342.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)-N-[[2-(pyridin-2-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methyl]methanamine is sourced from PubChem (CID 118747137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).