2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C17H15FN6O — CID 90431551

IUPAC2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C17H15FN6O/c1-9-7-11-12(20-9)3-4-13(16(11)18)25-17-19-6-5-14(22-17)21-15-8-10(2)23-24-15/h3-8,20H,1-2H3,(H2,19,21,22,23,24)
InChIKeySXAACWOLSLNDDU-UHFFFAOYSA-N
MW338.35 g/mol
LogP3.97
Rot. Bonds4

About 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 90431551) has the molecular formula C17H15FN6O and a molecular weight of 338.35 g/mol. Its IUPAC name is 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID90431551
Molecular FormulaC17H15FN6O
Molecular Weight338.35 g/mol
Exact Mass338.13
IUPAC Name2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccnc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1
InChIInChI=1S/C17H15FN6O/c1-9-7-11-12(20-9)3-4-13(16(11)18)25-17-19-6-5-14(22-17)21-15-8-10(2)23-24-15/h3-8,20H,1-2H3,(H2,19,21,22,23,24)
InChIKeySXAACWOLSLNDDU-UHFFFAOYSA-N
XLogP3.97
TPSA91.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.35
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 90431551) is 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2ccnc(Oc3ccc4[nH]c(C)cc4c3F)n2)n[nH]1.
What is the InChIKey of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is SXAACWOLSLNDDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN6O/c1-9-7-11-12(20-9)3-4-13(16(11)18)25-17-19-6-5-14(22-17)21-15-8-10(2)23-24-15/h3-8,20H,1-2H3,(H2,19,21,22,23,24).
What are the key properties of 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 338.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 90431551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).