1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C16H12ClN5S — CID 661224

IUPAC1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C16H12ClN5S/c17-11-3-5-12(6-4-11)22-16-14(9-21-22)15(19-10-20-16)18-8-13-2-1-7-23-13/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeyOGJOSCPNLKSUJQ-UHFFFAOYSA-N
MW341.83 g/mol
LogP4.14
Rot. Bonds4

About 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 661224) has the molecular formula C16H12ClN5S and a molecular weight of 341.83 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID661224
Molecular FormulaC16H12ClN5S
Molecular Weight341.83 g/mol
Exact Mass341.05
IUPAC Name1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESClc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1
InChIInChI=1S/C16H12ClN5S/c17-11-3-5-12(6-4-11)22-16-14(9-21-22)15(19-10-20-16)18-8-13-2-1-7-23-13/h1-7,9-10H,8H2,(H,18,19,20)
InChIKeyOGJOSCPNLKSUJQ-UHFFFAOYSA-N
XLogP4.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.83
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 219776
N-[1-(4-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]-N',N'-dimethylethane-1,2-diamine
CID 866540
N4-(4-chlorophenyl)-N6,N6-diethyl-1-methyl-1H-pyrazolo[3,4-d]pyrimidine-4,6-diamine
CID 8545974
3-bromo-N-(pyridin-3-ylmethyl)-5-(thiophen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 10475216
1-(2-Fluorobenzyl)-4-(2-thienyl)-1H-pyrazolo[3,4-d]pyrimidine-6-amine
CID 22015493
4-(5-Chlorothiophen-2-yl)-1-(2-piperidin-1-ylethyl)pyrazolo[3,4-d]pyrimidine
CID 74767207
4-Chloro-1-(4-chlorophenyl)-1h-pyrazolo[3,4-d]pyrimidine
CID 219769
1-(4-Chlorophenyl)-4-pyrrolidin-1-ylpyrazolo[3,4-d]pyrimidine
CID 661189
1-(4-chlorophenyl)-N-[3-(1H-imidazol-1-yl)propyl]-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 661196
1-phenyl-N-(thiophen-2-ylmethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 661383
1-(4-Chlorophenyl)-N-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 866407
1-(4-chlorophenyl)-N-cyclopentyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 935756

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 661224) is 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is Clc1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is OGJOSCPNLKSUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN5S/c17-11-3-5-12(6-4-11)22-16-14(9-21-22)15(19-10-20-16)18-8-13-2-1-7-23-13/h1-7,9-10H,8H2,(H,18,19,20).
What are the key properties of 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 341.83 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-(thiophen-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 661224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).