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

C20H23N5O — CID 135861711

IUPAC6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(-c3ccccc3)c1C)CC2
InChIInChI=1S/C20H23N5O/c1-13-17(14(2)25(23-13)16-7-5-4-6-8-16)11-24-10-9-19-18(12-24)20(26)22-15(3)21-19/h4-8H,9-12H2,1-3H3,(H,21,22,26)
InChIKeyJHISJCOCVSVFTR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.44
Rot. Bonds3

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

6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135861711) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135861711
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(-c3ccccc3)c1C)CC2
InChIInChI=1S/C20H23N5O/c1-13-17(14(2)25(23-13)16-7-5-4-6-8-16)11-24-10-9-19-18(12-24)20(26)22-15(3)21-19/h4-8H,9-12H2,1-3H3,(H,21,22,26)
InChIKeyJHISJCOCVSVFTR-UHFFFAOYSA-N
XLogP2.44
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861712
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methylsulfanyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861710
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861714
6-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862048
2-tert-butyl-6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942823
2-methyl-6-(quinolin-2-ylmethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861911
2-methyl-6-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947512
6-[(3-methyl-1-phenyl-5-piperidin-1-ylpyrazol-4-yl)methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942826
6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944699
6-(1H-indol-2-ylmethyl)-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944379
6-[(2-ethynylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917747
6-[(2-amino-4-oxochromen-3-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862671

Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135861711) is 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1c(C)nn(-c3ccccc3)c1C)CC2.
What is the InChIKey of 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is JHISJCOCVSVFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-17(14(2)25(23-13)16-7-5-4-6-8-16)11-24-10-9-19-18(12-24)20(26)22-15(3)21-19/h4-8H,9-12H2,1-3H3,(H,21,22,26).
What are the key properties of 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 349.44 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135861711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).