(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone

C25H30N4O — CID 174494554

IUPAC(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone
SMILESCC1CCC(c2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)CC1
InChIInChI=1S/C25H30N4O/c1-16-9-11-17(12-10-16)18-5-4-6-19(13-18)23(30)21-14-29(20-7-2-3-8-20)25-22(21)24(26)27-15-28-25/h4-6,13-17,20H,2-3,7-12H2,1H3,(H2,26,27,28)
InChIKeyXJZDRKDBBYHJNU-UHFFFAOYSA-N
MW402.54 g/mol
LogP5.65
Rot. Bonds4

About (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone

(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone (PubChem CID 174494554) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone.

Molecular Properties

Compound Name(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone
PubChem CID174494554
Molecular FormulaC25H30N4O
Molecular Weight402.54 g/mol
Exact Mass402.24
IUPAC Name(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone
SMILESCC1CCC(c2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)CC1
InChIInChI=1S/C25H30N4O/c1-16-9-11-17(12-10-16)18-5-4-6-19(13-18)23(30)21-14-29(20-7-2-3-8-20)25-22(21)24(26)27-15-28-25/h4-6,13-17,20H,2-3,7-12H2,1H3,(H2,26,27,28)
InChIKeyXJZDRKDBBYHJNU-UHFFFAOYSA-N
XLogP5.65
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.54
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone with MolForge

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Related Compounds

(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
CID 67219744
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-[(2,6-difluorophenyl)methylamino]phenyl]methanone
CID 67219686
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]prop-1-yne-1-sulfonamide
CID 159440915
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-2,4-difluorobenzamide
CID 67220331
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-chloro-2-methylbenzenesulfonamide
CID 67219214
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-ethenylbenzenesulfonamide
CID 67219149
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2,5-dimethoxyphenyl)urea
CID 67219779
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 67218762
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 67218783
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-5-bromo-6-chloropyridine-3-sulfonamide
CID 87314396
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-5-chloro-3-methyl-1-benzothiophene-2-sulfonamide
CID 67219628
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone?
The IUPAC name of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone (CID 174494554) is (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone.
What is the SMILES notation for (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone?
The canonical SMILES for (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone is CC1CCC(c2cccc(C(=O)c3cn(C4CCCC4)c4ncnc(N)c34)c2)CC1.
What is the InChIKey of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone?
The InChIKey is XJZDRKDBBYHJNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O/c1-16-9-11-17(12-10-16)18-5-4-6-19(13-18)23(30)21-14-29(20-7-2-3-8-20)25-22(21)24(26)27-15-28-25/h4-6,13-17,20H,2-3,7-12H2,1H3,(H2,26,27,28).
What are the key properties of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone?
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone has a molecular weight of 402.54 g/mol, XLogP of 5.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone is sourced from PubChem (CID 174494554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).