2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C24H36N6O2 — CID 136795726

IUPAC2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nn(CC(C)C(=O)N2CCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)c(C)c1C
InChIInChI=1S/C24H36N6O2/c1-14(2)28-11-9-19-20(13-28)25-22(26-23(19)31)21-8-7-10-29(21)24(32)15(3)12-30-18(6)16(4)17(5)27-30/h14-15,21H,7-13H2,1-6H3,(H,25,26,31)
InChIKeyXGUFEUCPETYMAY-UHFFFAOYSA-N
MW440.59 g/mol
LogP2.66
Rot. Bonds5

About 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136795726) has the molecular formula C24H36N6O2 and a molecular weight of 440.59 g/mol. Its IUPAC name is 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID136795726
Molecular FormulaC24H36N6O2
Molecular Weight440.59 g/mol
Exact Mass440.29
IUPAC Name2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCc1nn(CC(C)C(=O)N2CCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)c(C)c1C
InChIInChI=1S/C24H36N6O2/c1-14(2)28-11-9-19-20(13-28)25-22(26-23(19)31)21-8-7-10-29(21)24(32)15(3)12-30-18(6)16(4)17(5)27-30/h14-15,21H,7-13H2,1-6H3,(H,25,26,31)
InChIKeyXGUFEUCPETYMAY-UHFFFAOYSA-N
XLogP2.66
TPSA87.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

2-[(2S)-1-[(2S)-2-cyclopentyl-2-phenylacetyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137090401
2-[1-(4-methylbenzoyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796458
2-[(2R)-1-(5-fluoro-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891262
2-[(2S)-1-(1-phenylcyclopentanecarbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136891253
2-[(2R)-1-(3,5-dimethyl-1-benzofuran-2-carbonyl)piperidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136861029
2-[1-(4-methoxy-1H-indole-2-carbonyl)pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136795722
7-butanoyl-2-[(2R)-1-[(2R)-2-methyl-3-pyrazol-1-ylpropanoyl]piperidin-2-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892289
2-[(2R)-1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]-6-propan-2-yl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891180
2-[1-(cyclopropanecarbonyl)piperidin-2-yl]-7-propan-2-ylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136796697
2-[(2R)-1-(4-methylphenyl)sulfonylpyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136860929
2-[(2R)-1-(2-ethylbutanoyl)pyrrolidin-2-yl]-7-(pyridine-4-carbonyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136892112
6-propan-2-yl-2-[(2R)-1-(thiophene-2-carbonyl)pyrrolidin-2-yl]-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136891216

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136795726) is 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is Cc1nn(CC(C)C(=O)N2CCCC2c2nc3c(c(=O)[nH]2)CCN(C(C)C)C3)c(C)c1C.
What is the InChIKey of 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is XGUFEUCPETYMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N6O2/c1-14(2)28-11-9-19-20(13-28)25-22(26-23(19)31)21-8-7-10-29(21)24(32)15(3)12-30-18(6)16(4)17(5)27-30/h14-15,21H,7-13H2,1-6H3,(H,25,26,31).
What are the key properties of 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 440.59 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-methyl-3-(3,4,5-trimethylpyrazol-1-yl)propanoyl]pyrrolidin-2-yl]-7-propan-2-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136795726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).