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

C19H28N6O — CID 135674446

IUPAC6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1c(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cnn1C
InChIInChI=1S/C19H28N6O/c1-13-4-8-25(9-5-13)19-21-17-6-7-24(12-16(17)18(26)22-19)11-15-10-20-23(3)14(15)2/h10,13H,4-9,11-12H2,1-3H3,(H,21,22,26)
InChIKeyKPSPUZUTPIIBOW-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.61
Rot. Bonds3

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

6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135674446) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135674446
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1c(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cnn1C
InChIInChI=1S/C19H28N6O/c1-13-4-8-25(9-5-13)19-21-17-6-7-24(12-16(17)18(26)22-19)11-15-10-20-23(3)14(15)2/h10,13H,4-9,11-12H2,1-3H3,(H,21,22,26)
InChIKeyKPSPUZUTPIIBOW-UHFFFAOYSA-N
XLogP1.61
TPSA70.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135674446) is 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1c(CN2CCc3nc(N4CCC(C)CC4)[nH]c(=O)c3C2)cnn1C.
What is the InChIKey of 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is KPSPUZUTPIIBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-13-4-8-25(9-5-13)19-21-17-6-7-24(12-16(17)18(26)22-19)11-15-10-20-23(3)14(15)2/h10,13H,4-9,11-12H2,1-3H3,(H,21,22,26).
What are the key properties of 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 356.47 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,5-dimethylpyrazol-4-yl)methyl]-2-(4-methylpiperidin-1-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135674446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).