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

C19H26N4O2 — CID 118747252

IUPAC1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2OCCc3cn(CC4CCOCC4)nc32)ccn1
InChIInChI=1S/C19H26N4O2/c1-6-20-7-2-15(1)11-21-12-18-19-17(5-10-25-18)14-23(22-19)13-16-3-8-24-9-4-16/h1-2,6-7,14,16,18,21H,3-5,8-13H2
InChIKeyAIRSALYPWOOVMH-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.11
Rot. Bonds6

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

1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine (PubChem CID 118747252) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine
PubChem CID118747252
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine
SMILESc1cc(CNCC2OCCc3cn(CC4CCOCC4)nc32)ccn1
InChIInChI=1S/C19H26N4O2/c1-6-20-7-2-15(1)11-21-12-18-19-17(5-10-25-18)14-23(22-19)13-16-3-8-24-9-4-16/h1-2,6-7,14,16,18,21H,3-5,8-13H2
InChIKeyAIRSALYPWOOVMH-UHFFFAOYSA-N
XLogP2.11
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 ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine?
The IUPAC name of 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine (CID 118747252) is 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine.
What is the SMILES notation for 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine?
The canonical SMILES for 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine is c1cc(CNCC2OCCc3cn(CC4CCOCC4)nc32)ccn1.
What is the InChIKey of 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine?
The InChIKey is AIRSALYPWOOVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-6-20-7-2-15(1)11-21-12-18-19-17(5-10-25-18)14-23(22-19)13-16-3-8-24-9-4-16/h1-2,6-7,14,16,18,21H,3-5,8-13H2.
What are the key properties of 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine?
1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine has a molecular weight of 342.44 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(oxan-4-ylmethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]-N-(pyridin-4-ylmethyl)methanamine is sourced from PubChem (CID 118747252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).