6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C26H23F6N9O — CID 155232223

IUPAC6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C26H23F6N9O/c27-25(28,29)14-39-11-19(10-35-39)20-7-17(12-41-23(20)37-24(33)38-41)18-9-36-40(13-18)22(15-3-5-42-6-4-15)16-1-2-21(34-8-16)26(30,31)32/h1-2,7-13,15,22H,3-6,14H2,(H2,33,38)
InChIKeyFAXRGTBBCHIDIG-UHFFFAOYSA-N
MW591.52 g/mol
LogP5.03
Rot. Bonds6

About 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155232223) has the molecular formula C26H23F6N9O and a molecular weight of 591.52 g/mol. Its IUPAC name is 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155232223
Molecular FormulaC26H23F6N9O
Molecular Weight591.52 g/mol
Exact Mass591.19
IUPAC Name6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1
InChIInChI=1S/C26H23F6N9O/c27-25(28,29)14-39-11-19(10-35-39)20-7-17(12-41-23(20)37-24(33)38-41)18-9-36-40(13-18)22(15-3-5-42-6-4-15)16-1-2-21(34-8-16)26(30,31)32/h1-2,7-13,15,22H,3-6,14H2,(H2,33,38)
InChIKeyFAXRGTBBCHIDIG-UHFFFAOYSA-N
XLogP5.03
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.52
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[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 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155232223) is 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2c(-c3cnn(CC(F)(F)F)c3)cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn2n1.
What is the InChIKey of 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is FAXRGTBBCHIDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F6N9O/c27-25(28,29)14-39-11-19(10-35-39)20-7-17(12-41-23(20)37-24(33)38-41)18-9-36-40(13-18)22(15-3-5-42-6-4-15)16-1-2-21(34-8-16)26(30,31)32/h1-2,7-13,15,22H,3-6,14H2,(H2,33,38).
What are the key properties of 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 591.52 g/mol, XLogP of 5.03, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-8-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155232223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).