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

C21H25N5O — CID 135942850

IUPAC6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1-c1ccc(C)cc1)CC2
InChIInChI=1S/C21H25N5O/c1-3-4-19-23-18-9-10-26(13-17(18)21(27)24-19)12-16-11-22-25-20(16)15-7-5-14(2)6-8-15/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyFUVRWFOHQHIQRH-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.98
Rot. Bonds5

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

6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135942850) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135942850
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCCc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1-c1ccc(C)cc1)CC2
InChIInChI=1S/C21H25N5O/c1-3-4-19-23-18-9-10-26(13-17(18)21(27)24-19)12-16-11-22-25-20(16)15-7-5-14(2)6-8-15/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24,27)
InChIKeyFUVRWFOHQHIQRH-UHFFFAOYSA-N
XLogP2.98
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propyl-6-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944008
6-[(2-methyl-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947821
6-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-2-(2,3,4,5-tetrahydropyridin-6-yl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942866
6-[(2,5-diethoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917116
6-(1H-imidazol-5-ylmethyl)-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135862580
6-[(2,4-dihydroxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916976
6-[(1-methylpyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942510
6-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944628
6-[(5-ethylfuran-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861580
6-[(6-chloro-3-pyridinyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944528
6-[(2-fluoro-4-methoxyphenyl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135917816
6-[(5-phenylthiophen-2-yl)methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135942890

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135942850) is 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCCc1nc2c(c(=O)[nH]1)CN(Cc1cn[nH]c1-c1ccc(C)cc1)CC2.
What is the InChIKey of 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is FUVRWFOHQHIQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-3-4-19-23-18-9-10-26(13-17(18)21(27)24-19)12-16-11-22-25-20(16)15-7-5-14(2)6-8-15/h5-8,11H,3-4,9-10,12-13H2,1-2H3,(H,22,25)(H,23,24,27).
What are the key properties of 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 363.47 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-2-propyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135942850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).