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

C21H24FN5O — CID 135946748

IUPAC6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1cn(-c3ccc(F)cc3)nc1C)CC2
InChIInChI=1S/C21H24FN5O/c1-3-4-20-23-19-9-10-26(13-18(19)21(28)24-20)11-15-12-27(25-14(15)2)17-7-5-16(22)6-8-17/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,23,24,28)
InChIKeyUGDOMGGSHOJBJZ-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.91
Rot. Bonds5

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

6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135946748) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135946748
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1cn(-c3ccc(F)cc3)nc1C)CC2
InChIInChI=1S/C21H24FN5O/c1-3-4-20-23-19-9-10-26(13-18(19)21(28)24-20)11-15-12-27(25-14(15)2)17-7-5-16(22)6-8-17/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,23,24,28)
InChIKeyUGDOMGGSHOJBJZ-UHFFFAOYSA-N
XLogP2.91
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-thiophen-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135946757
6-[(2-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947821
6-[(3-methyl-1-phenylpyrazol-4-yl)methyl]-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944282
6-[(2,4-dihydroxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916976
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917816
2-propyl-6-[(4-pyrrolidin-1-ylphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135919272
6-[(2,5-diethoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917116
2-propyl-6-[(2,3,5,6-tetrafluorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916576
6-[(6-fluoro-5-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947168
6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942850
6-[(5-ethylfuran-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861580
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944628

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135946748) is 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1cn(-c3ccc(F)cc3)nc1C)CC2.
What is the InChIKey of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is UGDOMGGSHOJBJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-3-4-20-23-19-9-10-26(13-18(19)21(28)24-20)11-15-12-27(25-14(15)2)17-7-5-16(22)6-8-17/h5-8,12H,3-4,9-11,13H2,1-2H3,(H,23,24,28).
What are the key properties of 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 381.46 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135946748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).