3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine

C17H18FN5O2 — CID 67467779

IUPAC3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)cc1[C@@H](C)Oc1cc(-c2cnnn2C)cnc1N
InChIInChI=1S/C17H18FN5O2/c1-10(13-7-12(18)4-5-15(13)24-3)25-16-6-11(8-20-17(16)19)14-9-21-22-23(14)2/h4-10H,1-3H3,(H2,19,20)/t10-/m1/s1
InChIKeyGXUFIECYEKHMLD-SNVBAGLBSA-N
MW343.36 g/mol
LogP2.75
Rot. Bonds5

About 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine

3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine (PubChem CID 67467779) has the molecular formula C17H18FN5O2 and a molecular weight of 343.36 g/mol. Its IUPAC name is 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine
PubChem CID67467779
Molecular FormulaC17H18FN5O2
Molecular Weight343.36 g/mol
Exact Mass343.14
IUPAC Name3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine
SMILESCOc1ccc(F)cc1[C@@H](C)Oc1cc(-c2cnnn2C)cnc1N
InChIInChI=1S/C17H18FN5O2/c1-10(13-7-12(18)4-5-15(13)24-3)25-16-6-11(8-20-17(16)19)14-9-21-22-23(14)2/h4-10H,1-3H3,(H2,19,20)/t10-/m1/s1
InChIKeyGXUFIECYEKHMLD-SNVBAGLBSA-N
XLogP2.75
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine with MolForge

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Related Compounds

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
6-({[5-({[2-(3-Fluorophenyl)ethyl]amino}methyl)pyridin-3-Yl]oxy}methyl)-4-Methylpyridin-2-Amine
CID 71627414
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
20-Amino-14-fluoro-10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2(6),3,11(16),12,14,19,21-octaene-3-carbonitrile
CID 71732094
19-Amino-13-fluoro-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2(6),3,10(15),11,13,18,20-octaene-3-carbonitrile
CID 71732095
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methoxy-3-pyridinyl)pyrazin-2-amine
CID 89713230
Zidesamtinib
CID 166560233
5-(1,3-dimethylpyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
CID 76311144
(16R)-19-amino-13-fluoro-4,16-dimethyl-9,17-dioxa-4,5,20-triazatetracyclo[16.3.1.02,6.010,15]docosa-1(22),2,5,10(15),11,13,18,20-octaene-3-carbonitrile
CID 90644196
(17R)-20-amino-14-fluoro-4,17-dimethyl-10,18-dioxa-4,5,21-triazatetracyclo[17.3.1.02,6.011,16]tricosa-1(23),2,5,11(16),12,14,19,21-octaene-3-carbonitrile
CID 90644197
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(2-methylpyrazol-3-yl)pyridin-2-amine
CID 67467673
15-Fluoro-3-methyl-11,19-dioxa-3,4,22-triazatetracyclo[18.3.1.02,6.012,17]tetracosa-1(24),2(6),4,12(17),13,15,20,22-octaen-21-amine
CID 71732097

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine (CID 67467779) is 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine is COc1ccc(F)cc1[C@@H](C)Oc1cc(-c2cnnn2C)cnc1N.
What is the InChIKey of 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine?
The InChIKey is GXUFIECYEKHMLD-SNVBAGLBSA-N. The full InChI is InChI=1S/C17H18FN5O2/c1-10(13-7-12(18)4-5-15(13)24-3)25-16-6-11(8-20-17(16)19)14-9-21-22-23(14)2/h4-10H,1-3H3,(H2,19,20)/t10-/m1/s1.
What are the key properties of 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine?
3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine has a molecular weight of 343.36 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethoxy]-5-(3-methyltriazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67467779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).