1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H16ClN5O — CID 42670663

IUPAC1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccco2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C18H16ClN5O/c1-2-16-22-17(20-10-12-6-5-9-25-12)13-11-21-24(18(13)23-16)15-8-4-3-7-14(15)19/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeyDSCBLPGTVQWWEX-UHFFFAOYSA-N
MW353.81 g/mol
LogP4.24
Rot. Bonds5

About 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 42670663) has the molecular formula C18H16ClN5O and a molecular weight of 353.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID42670663
Molecular FormulaC18H16ClN5O
Molecular Weight353.81 g/mol
Exact Mass353.10
IUPAC Name1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2ccco2)c2cnn(-c3ccccc3Cl)c2n1
InChIInChI=1S/C18H16ClN5O/c1-2-16-22-17(20-10-12-6-5-9-25-12)13-11-21-24(18(13)23-16)15-8-4-3-7-14(15)19/h3-9,11H,2,10H2,1H3,(H,20,22,23)
InChIKeyDSCBLPGTVQWWEX-UHFFFAOYSA-N
XLogP4.24
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.81
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(furan-2-ylmethyl)-1-methyl-6-propylpyrazolo[3,4-d]pyrimidin-4-amine
CID 56918778
N-[2-[[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 42674188
N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 661026
6-chloro-1-(2-ethylphenyl)-N-methylpyrazolo[3,4-d]pyrimidin-4-amine
CID 82460149
2-ethyl-N-(furan-2-ylmethyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 68622626
2-benzyl-6-ethyl-N-(furan-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 91964816
N-[2-[[1-(2-chlorophenyl)-6-propan-2-ylpyrazolo[3,4-d]pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 42677286
[1-(2-chlorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]hydrazine
CID 82192496
N-[4-[[1-(2-chlorophenyl)-6-(methoxymethyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]cyclohexyl]propanamide
CID 42674124
1-(2-chlorophenyl)-5-ethylpyrazol-4-amine;hydrochloride
CID 86775399
1-(2-chlorophenyl)-6-ethyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyrazolo[5,4-d]pyrimidine
CID 42671902
3-benzyl-N-(furan-2-ylmethyl)-5-propyltriazolo[4,5-d]pyrimidin-7-amine
CID 43816131

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 42670663) is 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CCc1nc(NCc2ccco2)c2cnn(-c3ccccc3Cl)c2n1.
What is the InChIKey of 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is DSCBLPGTVQWWEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O/c1-2-16-22-17(20-10-12-6-5-9-25-12)13-11-21-24(18(13)23-16)15-8-4-3-7-14(15)19/h3-9,11H,2,10H2,1H3,(H,20,22,23).
What are the key properties of 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 353.81 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-6-ethyl-N-(furan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 42670663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).