3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine

C19H18FN7O — CID 77297395

IUPAC3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22)
InChIKeyXASLBBRDSFWNTD-UHFFFAOYSA-N
MW379.40 g/mol
LogP2.92
Rot. Bonds5

About 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine

3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (PubChem CID 77297395) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
PubChem CID77297395
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
SMILESCC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1
InChIInChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22)
InChIKeyXASLBBRDSFWNTD-UHFFFAOYSA-N
XLogP2.92
TPSA96.67 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

Pf-07059013
CID 146591762
2-(5-(6-Amino-5-((R)-1-(5-Fluoro-2-(2h-1,2,3-Triazol-2-Yl)phenyl)ethoxy)pyridin-3-Yl)-4-Methylthiazol-2-Yl)propan-2-Ol
CID 54588490
(2R)-2-[5-[6-amino-5-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-3-yl]-4-methyl-1,3-thiazol-2-yl]propane-1,2-diol
CID 72710568
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(3-methylsulfonylphenyl)pyridin-2-amine
CID 73819543
Zidesamtinib
CID 166560233
3-[(1r)-1-[5-Fluoranyl-2-(1,2,3-Triazol-2-Yl)phenyl]ethoxy]-5-(3-Methyl-1h-Pyrazol-4-Yl)pyridin-2-Amine
CID 67462112
3-[(1r)-1-(5-Fluoro-2-Methoxyphenyl)ethoxy]-5-(1-Methyl-1h-1,2,3-Triazol-5-Yl)pyridin-2-Amine
CID 67467779
[6-{(1S)-1-[(2-amino-6-fluoroquinolin-3-yl)oxy]ethyl}-5-(1H-pyrazol-1-yl)-1H-indazol-1-yl]acetic acid
CID 146591808
7-(2-fluorophenyl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)-3-phenylpyrazolo[1,5-d][1,2,4]triazine
CID 9865768
14-Fluoro-3-methyl-10,18-dioxa-3,4,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),4,11(16),12,14,19,21-octaen-20-amine
CID 71732092
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methoxy-3-pyridinyl)pyrazin-2-amine
CID 89713230
3-({4-methoxy-5-[(4-methoxybenzyl)oxy]pyridin-2-yl}methoxy)-5-(1-methyl-1H-pyrazol-4-yl)pyrazin-2-amine
CID 46870016

Frequently Asked Questions

What is the IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The IUPAC name of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine (CID 77297395) is 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The canonical SMILES for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is CC(Oc1cc(-c2ccnn2C)cnc1N)c1cc(F)ccc1-n1nccn1.
What is the InChIKey of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
The InChIKey is XASLBBRDSFWNTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-12(15-10-14(20)3-4-17(15)27-24-7-8-25-27)28-18-9-13(11-22-19(18)21)16-5-6-23-26(16)2/h3-12H,1-2H3,(H2,21,22).
What are the key properties of 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine?
3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine has a molecular weight of 379.40 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 77297395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).