2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C24H30N4O3 — CID 92631456

IUPAC2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(C)c1
InChIInChI=1S/C24H30N4O3/c1-15-13-18(31-4)11-10-17(15)7-5-9-21(29)28-12-6-8-20(28)23-25-16(2)19-14-22(30)27(3)24(19)26-23/h10-11,13,20H,5-9,12,14H2,1-4H3/t20-/m1/s1
InChIKeyIZFHCTOGDVWDIZ-HXUWFJFHSA-N
MW422.53 g/mol
LogP3.31
Rot. Bonds6

About 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one

2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 92631456) has the molecular formula C24H30N4O3 and a molecular weight of 422.53 g/mol. Its IUPAC name is 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92631456
Molecular FormulaC24H30N4O3
Molecular Weight422.53 g/mol
Exact Mass422.23
IUPAC Name2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCOc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(C)c1
InChIInChI=1S/C24H30N4O3/c1-15-13-18(31-4)11-10-17(15)7-5-9-21(29)28-12-6-8-20(28)23-25-16(2)19-14-22(30)27(3)24(19)26-23/h10-11,13,20H,5-9,12,14H2,1-4H3/t20-/m1/s1
InChIKeyIZFHCTOGDVWDIZ-HXUWFJFHSA-N
XLogP3.31
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2R)-1-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)acetyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631463
7-[(4-methoxyphenyl)methyl]-4-methyl-2-[1-(2-methylpropanoyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261677
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261719
2-[(2R)-1-(2-methoxyacetyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629478
4,7-dimethyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261665
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
N-[2-[2-[7-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-5H-pyrrolo[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 110261737
7-[(3-methoxyphenyl)methyl]-4-methyl-2-(1-propanoylpiperidin-2-yl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261597
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261627
4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629442
7-[(4-methoxyphenyl)methyl]-4-methyl-2-[(2S)-1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629586

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 92631456) is 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is COc1ccc(CCCC(=O)N2CCC[C@@H]2c2nc(C)c3c(n2)N(C)C(=O)C3)c(C)c1.
What is the InChIKey of 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is IZFHCTOGDVWDIZ-HXUWFJFHSA-N. The full InChI is InChI=1S/C24H30N4O3/c1-15-13-18(31-4)11-10-17(15)7-5-9-21(29)28-12-6-8-20(28)23-25-16(2)19-14-22(30)27(3)24(19)26-23/h10-11,13,20H,5-9,12,14H2,1-4H3/t20-/m1/s1.
What are the key properties of 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 422.53 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-1-[4-(4-methoxy-2-methylphenyl)butanoyl]pyrrolidin-2-yl]-4,7-dimethyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 92631456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).