3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol

C18H15FN6O — CID 11710037

IUPAC3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol
SMILESCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21
InChIInChI=1S/C18H15FN6O/c1-25-16-6-5-13(7-11(16)9-21-25)23-18-20-10-15(19)17(24-18)22-12-3-2-4-14(26)8-12/h2-10,26H,1H3,(H2,20,22,23,24)
InChIKeyPENAQGMBLHBDLM-UHFFFAOYSA-N
MW350.36 g/mol
LogP3.70
Rot. Bonds4

About 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol

3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol (PubChem CID 11710037) has the molecular formula C18H15FN6O and a molecular weight of 350.36 g/mol. Its IUPAC name is 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol
PubChem CID11710037
Molecular FormulaC18H15FN6O
Molecular Weight350.36 g/mol
Exact Mass350.13
IUPAC Name3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol
SMILESCn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21
InChIInChI=1S/C18H15FN6O/c1-25-16-6-5-13(7-11(16)9-21-25)23-18-20-10-15(19)17(24-18)22-12-3-2-4-14(26)8-12/h2-10,26H,1H3,(H2,20,22,23,24)
InChIKeyPENAQGMBLHBDLM-UHFFFAOYSA-N
XLogP3.70
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.36
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol (CID 11710037) is 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol is Cn1ncc2cc(Nc3ncc(F)c(Nc4cccc(O)c4)n3)ccc21.
What is the InChIKey of 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol?
The InChIKey is PENAQGMBLHBDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O/c1-25-16-6-5-13(7-11(16)9-21-25)23-18-20-10-15(19)17(24-18)22-12-3-2-4-14(26)8-12/h2-10,26H,1H3,(H2,20,22,23,24).
What are the key properties of 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol?
3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol has a molecular weight of 350.36 g/mol, XLogP of 3.70, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-2-[(1-methylindazol-5-yl)amino]pyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 11710037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).