3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

C15H17N5O — CID 60525598

IUPAC3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2cn[nH]c2-c2cccnc2)N2CCCCC12
InChIInChI=1S/C15H17N5O/c21-15-12-5-1-2-7-20(12)14(18-15)11-9-17-19-13(11)10-4-3-6-16-8-10/h3-4,6,8-9,12,14H,1-2,5,7H2,(H,17,19)(H,18,21)
InChIKeyAPKVEFPQTZPMEI-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.45
Rot. Bonds2

About 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one

3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (PubChem CID 60525598) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.

Molecular Properties

Compound Name3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
PubChem CID60525598
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one
SMILESO=C1NC(c2cn[nH]c2-c2cccnc2)N2CCCCC12
InChIInChI=1S/C15H17N5O/c21-15-12-5-1-2-7-20(12)14(18-15)11-9-17-19-13(11)10-4-3-6-16-8-10/h3-4,6,8-9,12,14H,1-2,5,7H2,(H,17,19)(H,18,21)
InChIKeyAPKVEFPQTZPMEI-UHFFFAOYSA-N
XLogP1.45
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The IUPAC name of 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one (CID 60525598) is 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one.
What is the SMILES notation for 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The canonical SMILES for 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is O=C1NC(c2cn[nH]c2-c2cccnc2)N2CCCCC12.
What is the InChIKey of 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
The InChIKey is APKVEFPQTZPMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c21-15-12-5-1-2-7-20(12)14(18-15)11-9-17-19-13(11)10-4-3-6-16-8-10/h3-4,6,8-9,12,14H,1-2,5,7H2,(H,17,19)(H,18,21).
What are the key properties of 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one?
3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one has a molecular weight of 283.33 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-3-yl-1H-pyrazol-4-yl)-3,5,6,7,8,8a-hexahydro-2H-imidazo[1,5-a]pyridin-1-one is sourced from PubChem (CID 60525598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).