(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone

C17H16ClN5O — CID 56944373

IUPAC(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
SMILESNc1ncnc2c1c(C(=O)c1cccc(Cl)c1)nn2C1CCCC1
InChIInChI=1S/C17H16ClN5O/c18-11-5-3-4-10(8-11)15(24)14-13-16(19)20-9-21-17(13)23(22-14)12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H2,19,20,21)
InChIKeyTVTIOYXMCXLLCP-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.41
Rot. Bonds3

About (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone

(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone (PubChem CID 56944373) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone.

Molecular Properties

Compound Name(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
PubChem CID56944373
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
SMILESNc1ncnc2c1c(C(=O)c1cccc(Cl)c1)nn2C1CCCC1
InChIInChI=1S/C17H16ClN5O/c18-11-5-3-4-10(8-11)15(24)14-13-16(19)20-9-21-17(13)23(22-14)12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H2,19,20,21)
InChIKeyTVTIOYXMCXLLCP-UHFFFAOYSA-N
XLogP3.41
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-3-fluorophenyl]-(3-fluorophenyl)methanone
CID 148815892
2-[3-[2-[4-amino-1-(1-methylpiperidin-4-yl)pyrazolo[3,4-d]pyrimidin-3-yl]ethynyl]-4-methylphenyl]-1-(3-chlorophenyl)ethanone
CID 149038001
N-[(1R,2R)-2-(6-aminopurin-9-yl)cyclopentyl]-3-chlorobenzamide
CID 10360939
3-(3-chlorophenoxy)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633771
(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-(3-phenylphenyl)methanone
CID 67219744
(4-amino-6-chloro-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-methylphenyl)methanethione
CID 89382090
N'-[5-amino-6-(cyclopentylamino)pyrimidin-4-yl]-3-chlorobenzohydrazide
CID 19151564
4-amino-1-cyclobutyl-N-(4-propylphenyl)pyrazolo[3,4-d]pyrimidine-3-carboxamide
CID 155602155
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277
3-[4-amino-3-(5-chloro-1,3-benzoxazole-2-carbonyl)pyrazolo[3,4-d]pyrimidin-1-yl]-2-tert-butylpiperidine-1-carboxylic acid
CID 118519890
3-(4-amino-1-piperidin-3-ylpyrazolo[3,4-d]pyrimidin-3-yl)-N-cyclohexylbenzamide
CID 71512455
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone?
The IUPAC name of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone (CID 56944373) is (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone.
What is the SMILES notation for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone?
The canonical SMILES for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone is Nc1ncnc2c1c(C(=O)c1cccc(Cl)c1)nn2C1CCCC1.
What is the InChIKey of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone?
The InChIKey is TVTIOYXMCXLLCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c18-11-5-3-4-10(8-11)15(24)14-13-16(19)20-9-21-17(13)23(22-14)12-6-1-2-7-12/h3-5,8-9,12H,1-2,6-7H2,(H2,19,20,21).
What are the key properties of (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone?
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone has a molecular weight of 341.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone is sourced from PubChem (CID 56944373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).