3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine

C17H17ClFN5 — CID 142531525

IUPAC3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Cc1cccc(Cl)c1)nn2C1CCC(F)C1
InChIInChI=1S/C17H17ClFN5/c18-11-3-1-2-10(6-11)7-14-15-16(20)21-9-22-17(15)24(23-14)13-5-4-12(19)8-13/h1-3,6,9,12-13H,4-5,7-8H2,(H2,20,21,22)
InChIKeyCFVSHPOGQBQNKQ-UHFFFAOYSA-N
MW345.81 g/mol
LogP3.72
Rot. Bonds3

About 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine

3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 142531525) has the molecular formula C17H17ClFN5 and a molecular weight of 345.81 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID142531525
Molecular FormulaC17H17ClFN5
Molecular Weight345.81 g/mol
Exact Mass345.12
IUPAC Name3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1ncnc2c1c(Cc1cccc(Cl)c1)nn2C1CCC(F)C1
InChIInChI=1S/C17H17ClFN5/c18-11-3-1-2-10(6-11)7-14-15-16(20)21-9-22-17(15)24(23-14)13-5-4-12(19)8-13/h1-3,6,9,12-13H,4-5,7-8H2,(H2,20,21,22)
InChIKeyCFVSHPOGQBQNKQ-UHFFFAOYSA-N
XLogP3.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.81
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[4-amino-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-ol;tert-butyl N-[3-[(3-chlorophenyl)methyl]-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 163677119
(4-amino-1-cyclopentylpyrazolo[3,4-d]pyrimidin-3-yl)-(3-chlorophenyl)methanone
CID 56944373
1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 158037733
3-benzyl-1-ethylpyrazolo[3,4-d]pyrimidin-4-amine
CID 159423289
3-(3-chlorophenoxy)-1-piperidin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 59633771
1-cyclopropyl-3-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 166884920
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864850
3-[(3-chlorophenyl)methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 135329161
3-ethyl-1-pyrrolidin-3-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 123186043
N-[3-[[4-amino-1-(cyclopropylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]methyl]phenyl]-3-methylbenzamide
CID 58506750
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
CID 66629043
3-(4-aminophenyl)-1-cyclopropylpyrazolo[3,4-d]pyrimidin-4-amine
CID 162386266

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 142531525) is 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2C1CCC(F)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is CFVSHPOGQBQNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN5/c18-11-3-1-2-10(6-11)7-14-15-16(20)21-9-22-17(15)24(23-14)13-5-4-12(19)8-13/h1-3,6,9,12-13H,4-5,7-8H2,(H2,20,21,22).
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine?
3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 345.81 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 142531525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).