1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

C18H22N4O — CID 10542997

IUPAC1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccnc1)C2=O
InChIInChI=1S/C18H22N4O/c1-2-16-15-9-11-21(14-8-5-10-19-12-14)18(23)17(15)22(20-16)13-6-3-4-7-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3
InChIKeyPPQXVSYEDVNMKT-UHFFFAOYSA-N
MW310.40 g/mol
LogP3.16
Rot. Bonds3

About 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one

1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (PubChem CID 10542997) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.

Molecular Properties

Compound Name1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
PubChem CID10542997
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
SMILESCCc1nn(C2CCCC2)c2c1CCN(c1cccnc1)C2=O
InChIInChI=1S/C18H22N4O/c1-2-16-15-9-11-21(14-8-5-10-19-12-14)18(23)17(15)22(20-16)13-6-3-4-7-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3
InChIKeyPPQXVSYEDVNMKT-UHFFFAOYSA-N
XLogP3.16
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The IUPAC name of 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one (CID 10542997) is 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one.
What is the SMILES notation for 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The canonical SMILES for 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is CCc1nn(C2CCCC2)c2c1CCN(c1cccnc1)C2=O.
What is the InChIKey of 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
The InChIKey is PPQXVSYEDVNMKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-2-16-15-9-11-21(14-8-5-10-19-12-14)18(23)17(15)22(20-16)13-6-3-4-7-13/h5,8,10,12-13H,2-4,6-7,9,11H2,1H3.
What are the key properties of 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one?
1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one has a molecular weight of 310.40 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-ethyl-6-pyridin-3-yl-4,5-dihydropyrazolo[3,4-c]pyridin-7-one is sourced from PubChem (CID 10542997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).