(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol

C17H16FN7O — CID 66613273

IUPAC(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3nn(C)cc23)n[nH]1
InChIInChI=1S/C17H16FN7O/c1-9-7-13(23-22-9)19-15-12-8-25(2)24-16(12)21-17(20-15)14(26)10-3-5-11(18)6-4-10/h3-8,14,26H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyOBECHMDOPMRFEC-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.36
Rot. Bonds4

About (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol

(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol (PubChem CID 66613273) has the molecular formula C17H16FN7O and a molecular weight of 353.36 g/mol. Its IUPAC name is (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol.

Molecular Properties

Compound Name(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol
PubChem CID66613273
Molecular FormulaC17H16FN7O
Molecular Weight353.36 g/mol
Exact Mass353.14
IUPAC Name(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol
SMILESCc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3nn(C)cc23)n[nH]1
InChIInChI=1S/C17H16FN7O/c1-9-7-13(23-22-9)19-15-12-8-25(2)24-16(12)21-17(20-15)14(26)10-3-5-11(18)6-4-10/h3-8,14,26H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyOBECHMDOPMRFEC-UHFFFAOYSA-N
XLogP2.36
TPSA104.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The IUPAC name of (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol (CID 66613273) is (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol.
What is the SMILES notation for (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The canonical SMILES for (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol is Cc1cc(Nc2nc(C(O)c3ccc(F)cc3)nc3nn(C)cc23)n[nH]1.
What is the InChIKey of (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
The InChIKey is OBECHMDOPMRFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN7O/c1-9-7-13(23-22-9)19-15-12-8-25(2)24-16(12)21-17(20-15)14(26)10-3-5-11(18)6-4-10/h3-8,14,26H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol?
(4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol has a molecular weight of 353.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[2-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]pyrazolo[3,4-d]pyrimidin-6-yl]methanol is sourced from PubChem (CID 66613273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).