2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C15H19N5O — CID 135942514

IUPAC2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C15H19N5O/c1-19-7-10(6-16-19)8-20-5-4-13-12(9-20)15(21)18-14(17-13)11-2-3-11/h6-7,11H,2-5,8-9H2,1H3,(H,17,18,21)
InChIKeyWGULLAUDKASSJU-UHFFFAOYSA-N
MW285.35 g/mol
LogP0.94
Rot. Bonds3

About 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942514) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942514
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)cn1
InChIInChI=1S/C15H19N5O/c1-19-7-10(6-16-19)8-20-5-4-13-12(9-20)15(21)18-14(17-13)11-2-3-11/h6-7,11H,2-5,8-9H2,1H3,(H,17,18,21)
InChIKeyWGULLAUDKASSJU-UHFFFAOYSA-N
XLogP0.94
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942514) is 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cn1cc(CN2CCc3nc(C4CC4)[nH]c(=O)c3C2)cn1.
What is the InChIKey of 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is WGULLAUDKASSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-19-7-10(6-16-19)8-20-5-4-13-12(9-20)15(21)18-14(17-13)11-2-3-11/h6-7,11H,2-5,8-9H2,1H3,(H,17,18,21).
What are the key properties of 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 285.35 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-[(1-methylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).