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

C19H18FN7O — CID 67462112

IUPAC3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1[nH]ncc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C19H18FN7O/c1-11-16(10-23-26-11)13-7-18(19(21)22-9-13)28-12(2)15-8-14(20)3-4-17(15)27-24-5-6-25-27/h3-10,12H,1-2H3,(H2,21,22)(H,23,26)/t12-/m1/s1
InChIKeyPYGCMVOPOMFFCX-GFCCVEGCSA-N
MW379.40 g/mol
LogP3.22
Rot. Bonds5

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

3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 67462112) has the molecular formula C19H18FN7O and a molecular weight of 379.40 g/mol. Its IUPAC name is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID67462112
Molecular FormulaC19H18FN7O
Molecular Weight379.40 g/mol
Exact Mass379.16
IUPAC Name3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCc1[nH]ncc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1
InChIInChI=1S/C19H18FN7O/c1-11-16(10-23-26-11)13-7-18(19(21)22-9-13)28-12(2)15-8-14(20)3-4-17(15)27-24-5-6-25-27/h3-10,12H,1-2H3,(H2,21,22)(H,23,26)/t12-/m1/s1
InChIKeyPYGCMVOPOMFFCX-GFCCVEGCSA-N
XLogP3.22
TPSA107.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine (CID 67462112) is 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is Cc1[nH]ncc1-c1cnc(N)c(O[C@H](C)c2cc(F)ccc2-n2nccn2)c1.
What is the InChIKey of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is PYGCMVOPOMFFCX-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18FN7O/c1-11-16(10-23-26-11)13-7-18(19(21)22-9-13)28-12(2)15-8-14(20)3-4-17(15)27-24-5-6-25-27/h3-10,12H,1-2H3,(H2,21,22)(H,23,26)/t12-/m1/s1.
What are the key properties of 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine?
3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 379.40 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-[5-fluoro-2-(triazol-2-yl)phenyl]ethoxy]-5-(5-methyl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 67462112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).