N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide

C22H24N4O2 — CID 167812360

IUPACN-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide
SMILESCc1ccc(-n2c(C)c(C)c3c(NC(=O)C4(C)CCC(=O)C4)ncnc32)cc1
InChIInChI=1S/C22H24N4O2/c1-13-5-7-16(8-6-13)26-15(3)14(2)18-19(23-12-24-20(18)26)25-21(28)22(4)10-9-17(27)11-22/h5-8,12H,9-11H2,1-4H3,(H,23,24,25,28)
InChIKeyRFSNIDCSLPPESI-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.04
Rot. Bonds3

About N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide

N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide (PubChem CID 167812360) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide
PubChem CID167812360
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide
SMILESCc1ccc(-n2c(C)c(C)c3c(NC(=O)C4(C)CCC(=O)C4)ncnc32)cc1
InChIInChI=1S/C22H24N4O2/c1-13-5-7-16(8-6-13)26-15(3)14(2)18-19(23-12-24-20(18)26)25-21(28)22(4)10-9-17(27)11-22/h5-8,12H,9-11H2,1-4H3,(H,23,24,25,28)
InChIKeyRFSNIDCSLPPESI-UHFFFAOYSA-N
XLogP4.04
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide?
The IUPAC name of N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide (CID 167812360) is N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide.
What is the SMILES notation for N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide?
The canonical SMILES for N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide is Cc1ccc(-n2c(C)c(C)c3c(NC(=O)C4(C)CCC(=O)C4)ncnc32)cc1.
What is the InChIKey of N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide?
The InChIKey is RFSNIDCSLPPESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-13-5-7-16(8-6-13)26-15(3)14(2)18-19(23-12-24-20(18)26)25-21(28)22(4)10-9-17(27)11-22/h5-8,12H,9-11H2,1-4H3,(H,23,24,25,28).
What are the key properties of N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide?
N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5,6-dimethyl-7-(4-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-yl]-1-methyl-3-oxocyclopentane-1-carboxamide is sourced from PubChem (CID 167812360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).