5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine

C20H20FN7O — CID 67467291

IUPAC5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
SMILESCc1n[nH]c(C)c1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C20H20FN7O/c1-11-19(12(2)27-26-11)14-8-18(20(22)23-10-14)29-13(3)16-9-15(21)4-5-17(16)28-24-6-7-25-28/h4-10,13H,1-3H3,(H2,22,23)(H,26,27)/t13-/m1/s1
InChIKeyYMXNJMYWSGISFG-CYBMUJFWSA-N
MW393.43 g/mol
LogP3.53
Rot. Bonds5

About 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine

5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine (PubChem CID 67467291) has the molecular formula C20H20FN7O and a molecular weight of 393.43 g/mol. Its IUPAC name is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine.

Molecular Properties

Compound Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
PubChem CID67467291
Molecular FormulaC20H20FN7O
Molecular Weight393.43 g/mol
Exact Mass393.17
IUPAC Name5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine
SMILESCc1n[nH]c(C)c1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C20H20FN7O/c1-11-19(12(2)27-26-11)14-8-18(20(22)23-10-14)29-13(3)16-9-15(21)4-5-17(16)28-24-6-7-25-28/h4-10,13H,1-3H3,(H2,22,23)(H,26,27)/t13-/m1/s1
InChIKeyYMXNJMYWSGISFG-CYBMUJFWSA-N
XLogP3.53
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The IUPAC name of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine (CID 67467291) is 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine.
What is the SMILES notation for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The canonical SMILES for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine is Cc1n[nH]c(C)c1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1.
What is the InChIKey of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
The InChIKey is YMXNJMYWSGISFG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H20FN7O/c1-11-19(12(2)27-26-11)14-8-18(20(22)23-10-14)29-13(3)16-9-15(21)4-5-17(16)28-24-6-7-25-28/h4-10,13H,1-3H3,(H2,22,23)(H,26,27)/t13-/m1/s1.
What are the key properties of 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine?
5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine has a molecular weight of 393.43 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethyl-1H-pyrazol-4-yl)-3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]pyridin-2-amine is sourced from PubChem (CID 67467291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).