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

C19H20FN5O — CID 135944699

IUPAC6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cnn(-c3ccc(F)cc3)c1C)CC2
InChIInChI=1S/C19H20FN5O/c1-12-14(9-21-25(12)16-5-3-15(20)4-6-16)10-24-8-7-18-17(11-24)19(26)23-13(2)22-18/h3-6,9H,7-8,10-11H2,1-2H3,(H,22,23,26)
InChIKeyMJSJTHBIECPGAG-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.27
Rot. Bonds3

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

6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944699) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944699
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)[nH]1)CN(Cc1cnn(-c3ccc(F)cc3)c1C)CC2
InChIInChI=1S/C19H20FN5O/c1-12-14(9-21-25(12)16-5-3-15(20)4-6-16)10-24-8-7-18-17(11-24)19(26)23-13(2)22-18/h3-6,9H,7-8,10-11H2,1-2H3,(H,22,23,26)
InChIKeyMJSJTHBIECPGAG-UHFFFAOYSA-N
XLogP2.27
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944695
2-amino-6-[[5-methyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944725
6-[(2,5-dimethylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917207
6-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861711
6-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917827
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943539
2-methyl-6-[(3,4,5-trifluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918226
6-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135943979
6-[(2-ethynylphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917747
6-[(2-hydroxy-4-methoxyphenyl)methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135918007
6-[[2-(4-fluorophenyl)-1H-indol-3-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942401
6-[[6-(2,4-difluorophenyl)-3-pyridinyl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945979

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944699) is 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)[nH]1)CN(Cc1cnn(-c3ccc(F)cc3)c1C)CC2.
What is the InChIKey of 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is MJSJTHBIECPGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-12-14(9-21-25(12)16-5-3-15(20)4-6-16)10-24-8-7-18-17(11-24)19(26)23-13(2)22-18/h3-6,9H,7-8,10-11H2,1-2H3,(H,22,23,26).
What are the key properties of 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 353.40 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).