2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

C17H14ClN5O — CID 127045701

IUPAC2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1
InChIInChI=1S/C17H14ClN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyBPQMICPWRXHIJI-UHFFFAOYSA-N
MW339.79 g/mol
LogP3.68
Rot. Bonds3

About 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine

2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 127045701) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID127045701
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
SMILESCc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1
InChIInChI=1S/C17H14ClN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21)
InChIKeyBPQMICPWRXHIJI-UHFFFAOYSA-N
XLogP3.68
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-benzyl-5-(furan-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine
CID 127047851
1-[(2-chlorophenyl)methyl]-3-(4-methylphenyl)pyrazol-4-amine
CID 83203351
3-(4-chlorophenyl)-1-[(2-chlorophenyl)methyl]pyrazol-4-amine
CID 83203348
1-[(2-chlorophenyl)methyl]-3-(5-methylthiophen-2-yl)pyrazol-4-amine
CID 83222665
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]methanesulfonamide
CID 22206402
2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171172
methyl 4-amino-1-[(2-chlorophenyl)methyl]pyrazole-3-carboxylate
CID 107344600
2-[(2-chlorophenyl)methyl]-4,5-dimethylpyrazol-3-amine
CID 63276587
1-[(2-chlorophenyl)methyl]-5-methylpyrazol-3-amine
CID 7017721
7-chloro-5-(2,6-difluorophenyl)-2-[(4-methoxyphenyl)methyl]pyrazolo[4,3-d]pyrimidine
CID 86675306
1-[(2-chlorophenyl)methyl]-3-(oxolan-3-yl)pyrazol-4-amine
CID 113483578
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-2-(4-methoxyphenyl)acetamide
CID 39854132

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine (CID 127045701) is 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is Cc1ccc(-c2nc(N)c3nn(Cc4ccccc4Cl)cc3n2)o1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is BPQMICPWRXHIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c1-10-6-7-14(24-10)17-20-13-9-23(22-15(13)16(19)21-17)8-11-4-2-3-5-12(11)18/h2-7,9H,8H2,1H3,(H2,19,20,21).
What are the key properties of 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine?
2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 339.79 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-5-(5-methylfuran-2-yl)pyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 127045701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).