6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C24H34N6O2 — CID 136796276

IUPAC6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CN(C2CCCCC2)CC3)n1
InChIInChI=1S/C24H34N6O2/c1-2-29-15-12-20(27-29)24(32)30-13-7-6-10-21(30)22-25-19-11-14-28(16-18(19)23(31)26-22)17-8-4-3-5-9-17/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,25,26,31)
InChIKeyYOZRVHXEFDOJAR-UHFFFAOYSA-N
MW438.58 g/mol
LogP3.04
Rot. Bonds4

About 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 136796276) has the molecular formula C24H34N6O2 and a molecular weight of 438.58 g/mol. Its IUPAC name is 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID136796276
Molecular FormulaC24H34N6O2
Molecular Weight438.58 g/mol
Exact Mass438.27
IUPAC Name6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CN(C2CCCCC2)CC3)n1
InChIInChI=1S/C24H34N6O2/c1-2-29-15-12-20(27-29)24(32)30-13-7-6-10-21(30)22-25-19-11-14-28(16-18(19)23(31)26-22)17-8-4-3-5-9-17/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,25,26,31)
InChIKeyYOZRVHXEFDOJAR-UHFFFAOYSA-N
XLogP3.04
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.58
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-cyclohexyl-2-[(2S)-1-(4-methylbenzoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136860787
6-cyclohexyl-2-[1-(3-pyrazol-1-ylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796272
6-(4-methylcyclohexyl)-2-[(2S)-1-(pyridine-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891805
6-cyclohexyl-2-[1-(3-phenylpropanoyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796262
2-[(2R)-1-benzoylpiperidin-2-yl]-7-cyclohexyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136681996
6-(4-methylcyclohexyl)-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891810
7-cyclohexyl-2-[(2R)-1-(2-methylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136763989
7-cyclohexyl-2-[(2S)-1-(cyclopropanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774792
7-cyclohexyl-2-[(2S)-1-(cyclopentanecarbonyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136774794
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-6-(4-methylcyclohexyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136796755
7-cyclopentyl-2-[(2S)-1-(3-methylbenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861055
7-cyclohexyl-2-[1-(3-fluorobenzoyl)piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796512

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 136796276) is 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1ccc(C(=O)N2CCCCC2c2nc3c(c(=O)[nH]2)CN(C2CCCCC2)CC3)n1.
What is the InChIKey of 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is YOZRVHXEFDOJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34N6O2/c1-2-29-15-12-20(27-29)24(32)30-13-7-6-10-21(30)22-25-19-11-14-28(16-18(19)23(31)26-22)17-8-4-3-5-9-17/h12,15,17,21H,2-11,13-14,16H2,1H3,(H,25,26,31).
What are the key properties of 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 438.58 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-[1-(1-ethylpyrazole-3-carbonyl)piperidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136796276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).