(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C22H20F2N6 — CID 46864635

IUPAC(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F
InChIInChI=1S/C22H20F2N6/c1-14-25-10-12-29(14)20-9-8-17(13-19(20)24)26-22-27-21-18(3-2-11-30(21)28-22)15-4-6-16(23)7-5-15/h4-10,12-13,18H,2-3,11H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyNBOQOAWQTSXSLN-GOSISDBHSA-N
MW406.44 g/mol
LogP4.72
Rot. Bonds4

About (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine

(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 46864635) has the molecular formula C22H20F2N6 and a molecular weight of 406.44 g/mol. Its IUPAC name is (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID46864635
Molecular FormulaC22H20F2N6
Molecular Weight406.44 g/mol
Exact Mass406.17
IUPAC Name(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1nccn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F
InChIInChI=1S/C22H20F2N6/c1-14-25-10-12-29(14)20-9-8-17(13-19(20)24)26-22-27-21-18(3-2-11-30(21)28-22)15-4-6-16(23)7-5-15/h4-10,12-13,18H,2-3,11H2,1H3,(H,26,28)/t18-/m1/s1
InChIKeyNBOQOAWQTSXSLN-GOSISDBHSA-N
XLogP4.72
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.44
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 46864635) is (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1nccn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F.
What is the InChIKey of (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is NBOQOAWQTSXSLN-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20F2N6/c1-14-25-10-12-29(14)20-9-8-17(13-19(20)24)26-22-27-21-18(3-2-11-30(21)28-22)15-4-6-16(23)7-5-15/h4-10,12-13,18H,2-3,11H2,1H3,(H,26,28)/t18-/m1/s1.
What are the key properties of (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
(8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 406.44 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 46864635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).