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

C22H27N5O3 — CID 92629442

IUPAC4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)C2
InChIInChI=1S/C22H27N5O3/c1-12-10-13(2)25(4)21(29)18(12)22(30)27-9-7-6-8-16(27)19-23-14(3)15-11-17(28)26(5)20(15)24-19/h10,16H,6-9,11H2,1-5H3/t16-/m1/s1
InChIKeyQYIYPRCSOCLVLJ-MRXNPFEDSA-N
MW409.49 g/mol
LogP1.99
Rot. Bonds2

About 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

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 (PubChem CID 92629442) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID92629442
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name4,7-dimethyl-2-[(2R)-1-(1,4,6-trimethyl-2-oxopyridine-3-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)C2
InChIInChI=1S/C22H27N5O3/c1-12-10-13(2)25(4)21(29)18(12)22(30)27-9-7-6-8-16(27)19-23-14(3)15-11-17(28)26(5)20(15)24-19/h10,16H,6-9,11H2,1-5H3/t16-/m1/s1
InChIKeyQYIYPRCSOCLVLJ-MRXNPFEDSA-N
XLogP1.99
TPSA88.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

4,7-dimethyl-2-[1-(2-propan-2-yloxyacetyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261665
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
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
4-methyl-7-(2-phenylethyl)-2-[(2S)-1-(1H-pyrazole-5-carbonyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95840103
7-[(4-fluorophenyl)methyl]-4-methyl-2-[(2S)-1-(2-methylpropanoyl)piperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831930
2-[1-(3-methoxypropanoyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260803
4-methyl-7-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 95831954
2-[1-[3-(2-methoxyphenyl)propanoyl]piperidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260627
3-[(2S)-2-[2-(dimethylamino)-5-pyridin-4-ylpyrimidin-4-yl]piperidine-1-carbonyl]-1,4,6-trimethylpyridin-2-one
CID 92602626
2-[1-(cyclopentanecarbonyl)piperidin-2-yl]-7-[(4-methoxyphenyl)methyl]-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261627
2-[(2S)-1-(2-aminopyridine-3-carbonyl)piperidin-2-yl]-7-(cyclohexylmethyl)-4-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92629443
2-[1-(5-ethoxy-1-methylindole-2-carbonyl)pyrrolidin-2-yl]-4,8-dimethyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260881

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cc(C)n(C)c(=O)c1C(=O)N1CCCC[C@@H]1c1nc(C)c2c(n1)N(C)C(=O)C2.
What is the InChIKey of 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?
The InChIKey is QYIYPRCSOCLVLJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-12-10-13(2)25(4)21(29)18(12)22(30)27-9-7-6-8-16(27)19-23-14(3)15-11-17(28)26(5)20(15)24-19/h10,16H,6-9,11H2,1-5H3/t16-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 409.49 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 92629442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).