N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

C18H14FN5O — CID 122589648

IUPACN-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1F
InChIInChI=1S/C18H14FN5O/c1-25-16-5-2-11(9-14(16)19)18-20-7-6-17(23-18)22-13-3-4-15-12(8-13)10-21-24-15/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyXOQVAUUOBMNWIN-UHFFFAOYSA-N
MW335.34 g/mol
LogP3.91
Rot. Bonds4

About N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine

N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (PubChem CID 122589648) has the molecular formula C18H14FN5O and a molecular weight of 335.34 g/mol. Its IUPAC name is N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
PubChem CID122589648
Molecular FormulaC18H14FN5O
Molecular Weight335.34 g/mol
Exact Mass335.12
IUPAC NameN-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine
SMILESCOc1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1F
InChIInChI=1S/C18H14FN5O/c1-25-16-5-2-11(9-14(16)19)18-20-7-6-17(23-18)22-13-3-4-15-12(8-13)10-21-24-15/h2-10H,1H3,(H,21,24)(H,20,22,23)
InChIKeyXOQVAUUOBMNWIN-UHFFFAOYSA-N
XLogP3.91
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine (CID 122589648) is N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is COc1ccc(-c2nccc(Nc3ccc4[nH]ncc4c3)n2)cc1F.
What is the InChIKey of N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
The InChIKey is XOQVAUUOBMNWIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O/c1-25-16-5-2-11(9-14(16)19)18-20-7-6-17(23-18)22-13-3-4-15-12(8-13)10-21-24-15/h2-10H,1H3,(H,21,24)(H,20,22,23).
What are the key properties of N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine?
N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine has a molecular weight of 335.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoro-4-methoxyphenyl)pyrimidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 122589648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).