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

C25H31N5O2 — CID 135944695

IUPAC2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)c2C)cc1
InChIInChI=1S/C25H31N5O2/c1-17-19(14-26-30(17)20-8-10-21(32-2)11-9-20)15-29-13-12-23-22(16-29)25(31)28-24(27-23)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15-16H2,1-2H3,(H,27,28,31)
InChIKeyAREJABAAHJJELH-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.88
Rot. Bonds5

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

2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 135944695) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID135944695
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCOc1ccc(-n2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)c2C)cc1
InChIInChI=1S/C25H31N5O2/c1-17-19(14-26-30(17)20-8-10-21(32-2)11-9-20)15-29-13-12-23-22(16-29)25(31)28-24(27-23)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15-16H2,1-2H3,(H,27,28,31)
InChIKeyAREJABAAHJJELH-UHFFFAOYSA-N
XLogP3.88
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]methyl]-2-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135944699
2-cyclohexyl-6-[(2-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945255
2-cyclohexyl-7-[(4-methoxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865920
2-cyclohexyl-6-[(2-methyl-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947828
2-cyclohexyl-6-[(5-methylfuran-2-yl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135860970
2-cyclohexyl-6-[[2-(3-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947628
6-[(5-chloro-2,3-dimethoxyphenyl)methyl]-2-cyclohexyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135920196
4-[(2-cyclohexyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-yl)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 135945115
2-cyclohexyl-6-[(5-fluoro-6-methoxy-3-pyridinyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135945215
2-cyclohexyl-6-[(2,4-dichlorophenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135916903
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-6-[(4-methoxyphenyl)methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136735616
2-cyclohexyl-6-[[4-(trifluoromethyl)-3-pyridinyl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135947468

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 135944695) is 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is COc1ccc(-n2ncc(CN3CCc4nc(C5CCCCC5)[nH]c(=O)c4C3)c2C)cc1.
What is the InChIKey of 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AREJABAAHJJELH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-19(14-26-30(17)20-8-10-21(32-2)11-9-20)15-29-13-12-23-22(16-29)25(31)28-24(27-23)18-6-4-3-5-7-18/h8-11,14,18H,3-7,12-13,15-16H2,1-2H3,(H,27,28,31).
What are the key properties of 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 433.56 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-6-[[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]methyl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 135944695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).