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

C24H22N4O — CID 67219744

IUPAC(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
SMILESNc1ncnc2c1c(C(=O)c1cccc(-c3ccccc3)c1)cn2C1CCCC1
InChIInChI=1S/C24H22N4O/c25-23-21-20(14-28(19-11-4-5-12-19)24(21)27-15-26-23)22(29)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-3,6-10,13-15,19H,4-5,11-12H2,(H2,25,26,27)
InChIKeyLQWKZNXNRVYSQW-UHFFFAOYSA-N
MW382.47 g/mol
LogP5.03
Rot. Bonds4

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

(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone (PubChem CID 67219744) has the molecular formula C24H22N4O and a molecular weight of 382.47 g/mol. Its IUPAC name is (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
PubChem CID67219744
Molecular FormulaC24H22N4O
Molecular Weight382.47 g/mol
Exact Mass382.18
IUPAC Name(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
SMILESNc1ncnc2c1c(C(=O)c1cccc(-c3ccccc3)c1)cn2C1CCCC1
InChIInChI=1S/C24H22N4O/c25-23-21-20(14-28(19-11-4-5-12-19)24(21)27-15-26-23)22(29)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-3,6-10,13-15,19H,4-5,11-12H2,(H2,25,26,27)
InChIKeyLQWKZNXNRVYSQW-UHFFFAOYSA-N
XLogP5.03
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.47
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-[3-(4-methylcyclohexyl)phenyl]methanone
CID 174494554
(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
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-(2-ethoxyphenyl)urea
CID 67219588
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-4-ethenylbenzenesulfonamide
CID 67219149
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-1-(4-fluorophenyl)methanesulfonamide
CID 67218762
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-chloro-2-methylbenzenesulfonamide
CID 67219214
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-[2-fluoro-3-(trifluoromethyl)phenyl]urea
CID 67219664
1-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea
CID 67218783
7-cyclohexyl-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 54434264
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-5-bromo-6-chloropyridine-3-sulfonamide
CID 87314396

Frequently Asked Questions

What is the IUPAC name of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone?
The IUPAC name of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone (CID 67219744) is (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone.
What is the SMILES notation for (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone?
The canonical SMILES for (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone is Nc1ncnc2c1c(C(=O)c1cccc(-c3ccccc3)c1)cn2C1CCCC1.
What is the InChIKey of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone?
The InChIKey is LQWKZNXNRVYSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O/c25-23-21-20(14-28(19-11-4-5-12-19)24(21)27-15-26-23)22(29)18-10-6-9-17(13-18)16-7-2-1-3-8-16/h1-3,6-10,13-15,19H,4-5,11-12H2,(H2,25,26,27).
What are the key properties of (4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone?
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone has a molecular weight of 382.47 g/mol, XLogP of 5.03, 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-phenylphenyl)methanone is sourced from PubChem (CID 67219744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).