2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C16H20N6O2 — CID 135674583

IUPAC2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H20N6O2/c23-14-11-5-9-22(15(24)12-4-6-17-20-12)10-13(11)18-16(19-14)21-7-2-1-3-8-21/h4,6H,1-3,5,7-10H2,(H,17,20)(H,18,19,23)
InChIKeyWFDXSPLOKDIQRR-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.68
Rot. Bonds2

About 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 135674583) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID135674583
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=C(c1ccn[nH]1)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1
InChIInChI=1S/C16H20N6O2/c23-14-11-5-9-22(15(24)12-4-6-17-20-12)10-13(11)18-16(19-14)21-7-2-1-3-8-21/h4,6H,1-3,5,7-10H2,(H,17,20)(H,18,19,23)
InChIKeyWFDXSPLOKDIQRR-UHFFFAOYSA-N
XLogP0.68
TPSA97.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 135674583) is 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=C(c1ccn[nH]1)N1CCc2c(nc(N3CCCCC3)[nH]c2=O)C1.
What is the InChIKey of 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is WFDXSPLOKDIQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c23-14-11-5-9-22(15(24)12-4-6-17-20-12)10-13(11)18-16(19-14)21-7-2-1-3-8-21/h4,6H,1-3,5,7-10H2,(H,17,20)(H,18,19,23).
What are the key properties of 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 328.38 g/mol, XLogP of 0.68, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-7-(1H-pyrazole-5-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 135674583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).