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

C21H19F2N7 — CID 58110046

IUPAC(8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncnn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F
InChIInChI=1S/C21H19F2N7/c1-13-24-12-25-30(13)19-9-8-16(11-18(19)23)26-21-27-20-17(3-2-10-29(20)28-21)14-4-6-15(22)7-5-14/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyGXUIBEGWVDCQHE-QGZVFWFLSA-N
MW407.43 g/mol
LogP4.11
Rot. Bonds4

About (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 58110046) has the molecular formula C21H19F2N7 and a molecular weight of 407.43 g/mol. Its IUPAC name is (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID58110046
Molecular FormulaC21H19F2N7
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC Name(8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCc1ncnn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F
InChIInChI=1S/C21H19F2N7/c1-13-24-12-25-30(13)19-9-8-16(11-18(19)23)26-21-27-20-17(3-2-10-29(20)28-21)14-4-6-15(22)7-5-14/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,28)/t17-/m1/s1
InChIKeyGXUIBEGWVDCQHE-QGZVFWFLSA-N
XLogP4.11
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 58110046) is (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Cc1ncnn1-c1ccc(Nc2nc3n(n2)CCC[C@@H]3c2ccc(F)cc2)cc1F.
What is the InChIKey of (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-1-yl)phenyl]-8-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is GXUIBEGWVDCQHE-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19F2N7/c1-13-24-12-25-30(13)19-9-8-16(11-18(19)23)26-21-27-20-17(3-2-10-29(20)28-21)14-4-6-15(22)7-5-14/h4-9,11-12,17H,2-3,10H2,1H3,(H,26,28)/t17-/m1/s1.
What are the key properties of (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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-(5-methyl-1,2,4-triazol-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 407.43 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-N-[3-fluoro-4-(5-methyl-1,2,4-triazol-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 58110046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).