5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol

C19H17FN6O — CID 56649353

IUPAC5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(F)cc2O)n1
InChIInChI=1S/C19H17FN6O/c1-25-11-12-3-5-14(10-16(12)24-25)26(2)18-7-8-21-19(23-18)22-15-6-4-13(20)9-17(15)27/h3-11,27H,1-2H3,(H,21,22,23)
InChIKeyFHHDOXKRZHQEFR-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.72
Rot. Bonds4

About 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol

5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol (PubChem CID 56649353) has the molecular formula C19H17FN6O and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol
PubChem CID56649353
Molecular FormulaC19H17FN6O
Molecular Weight364.38 g/mol
Exact Mass364.14
IUPAC Name5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol
SMILESCN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(F)cc2O)n1
InChIInChI=1S/C19H17FN6O/c1-25-11-12-3-5-14(10-16(12)24-25)26(2)18-7-8-21-19(23-18)22-15-6-4-13(20)9-17(15)27/h3-11,27H,1-2H3,(H,21,22,23)
InChIKeyFHHDOXKRZHQEFR-UHFFFAOYSA-N
XLogP3.72
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol?
The IUPAC name of 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol (CID 56649353) is 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol is CN(c1ccc2cn(C)nc2c1)c1ccnc(Nc2ccc(F)cc2O)n1.
What is the InChIKey of 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol?
The InChIKey is FHHDOXKRZHQEFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6O/c1-25-11-12-3-5-14(10-16(12)24-25)26(2)18-7-8-21-19(23-18)22-15-6-4-13(20)9-17(15)27/h3-11,27H,1-2H3,(H,21,22,23).
What are the key properties of 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol?
5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol has a molecular weight of 364.38 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-[methyl-(2-methylindazol-6-yl)amino]pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 56649353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).