2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

C18H12ClF2N5 — CID 110171351

IUPAC2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2nn(Cc3c(F)cccc3Cl)cc12
InChIInChI=1S/C18H12ClF2N5/c19-14-2-1-3-15(21)12(14)8-26-9-13-16(22)23-17(24-18(13)25-26)10-4-6-11(20)7-5-10/h1-7,9H,8H2,(H2,22,23,24,25)
InChIKeyHSXUSMKARYCGMH-UHFFFAOYSA-N
MW371.78 g/mol
LogP4.06
Rot. Bonds3

About 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine

2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 110171351) has the molecular formula C18H12ClF2N5 and a molecular weight of 371.78 g/mol. Its IUPAC name is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID110171351
Molecular FormulaC18H12ClF2N5
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESNc1nc(-c2ccc(F)cc2)nc2nn(Cc3c(F)cccc3Cl)cc12
InChIInChI=1S/C18H12ClF2N5/c19-14-2-1-3-15(21)12(14)8-26-9-13-16(22)23-17(24-18(13)25-26)10-4-6-11(20)7-5-10/h1-7,9H,8H2,(H2,22,23,24,25)
InChIKeyHSXUSMKARYCGMH-UHFFFAOYSA-N
XLogP4.06
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,6-dichlorophenyl)methyl]-6-(furan-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171339
2-[(2,6-dibromophenyl)methyl]-6-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 110171350
2-[(2-chlorophenyl)methyl]-6-(3-methoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171172
1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-amine;hydrochloride
CID 17349598
2-[(3-fluorophenyl)methyl]-6-(1,2-thiazol-3-yl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 146268705
7-chloro-2-(4-fluorophenyl)quinazolin-4-amine
CID 61026323
ethyl 1-[(2-chloro-6-fluorophenyl)methyl]pyrazole-4-carboxylate
CID 79970020
1-[(2,6-dichlorophenyl)methyl]-6-(2-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 110171308
N-[4-chloro-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-fluorophenoxy)methyl]benzamide
CID 19396648
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19287277
9-[(2-chloro-6-fluorophenyl)methyl]purin-6-(15N)amine
CID 172677263
1-[4-bromo-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397438

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 110171351) is 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is Nc1nc(-c2ccc(F)cc2)nc2nn(Cc3c(F)cccc3Cl)cc12.
What is the InChIKey of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is HSXUSMKARYCGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF2N5/c19-14-2-1-3-15(21)12(14)8-26-9-13-16(22)23-17(24-18(13)25-26)10-4-6-11(20)7-5-10/h1-7,9H,8H2,(H2,22,23,24,25).
What are the key properties of 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine?
2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 371.78 g/mol, XLogP of 4.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-6-fluorophenyl)methyl]-6-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 110171351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).