[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

C15H22N4O2 — CID 118745576

IUPAC[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c2c1CN(C1CCOC1)CC2)N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-15(18-5-1-2-6-18)14-12-9-19(11-4-8-21-10-11)7-3-13(12)16-17-14/h11H,1-10H2,(H,16,17)
InChIKeyLTGODAZARTUIQD-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.79
Rot. Bonds2

About [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone

[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (PubChem CID 118745576) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
PubChem CID118745576
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1n[nH]c2c1CN(C1CCOC1)CC2)N1CCCC1
InChIInChI=1S/C15H22N4O2/c20-15(18-5-1-2-6-18)14-12-9-19(11-4-8-21-10-11)7-3-13(12)16-17-14/h11H,1-10H2,(H,16,17)
InChIKeyLTGODAZARTUIQD-UHFFFAOYSA-N
XLogP0.79
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone (CID 118745576) is [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is O=C(c1n[nH]c2c1CN(C1CCOC1)CC2)N1CCCC1.
What is the InChIKey of [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is LTGODAZARTUIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c20-15(18-5-1-2-6-18)14-12-9-19(11-4-8-21-10-11)7-3-13(12)16-17-14/h11H,1-10H2,(H,16,17).
What are the key properties of [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone?
[5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 290.37 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(oxolan-3-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 118745576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).