7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

C27H23F5N8O — CID 155213582

IUPAC7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)F)nc4)C4CCOCC4)c3)cc(-c3ccc(C(F)(F)F)nc3)n2n1
InChIInChI=1S/C27H23F5N8O/c28-25(29)20-3-1-17(12-34-20)24(15-5-7-41-8-6-15)39-14-19(13-36-39)18-9-21(40-23(10-18)37-26(33)38-40)16-2-4-22(35-11-16)27(30,31)32/h1-4,9-15,24-25H,5-8H2,(H2,33,38)
InChIKeyWTZTWDGAKSTREA-UHFFFAOYSA-N
MW570.53 g/mol
LogP5.60
Rot. Bonds6

About 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine

7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155213582) has the molecular formula C27H23F5N8O and a molecular weight of 570.53 g/mol. Its IUPAC name is 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155213582
Molecular FormulaC27H23F5N8O
Molecular Weight570.53 g/mol
Exact Mass570.19
IUPAC Name7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)F)nc4)C4CCOCC4)c3)cc(-c3ccc(C(F)(F)F)nc3)n2n1
InChIInChI=1S/C27H23F5N8O/c28-25(29)20-3-1-17(12-34-20)24(15-5-7-41-8-6-15)39-14-19(13-36-39)18-9-21(40-23(10-18)37-26(33)38-40)16-2-4-22(35-11-16)27(30,31)32/h1-4,9-15,24-25H,5-8H2,(H2,33,38)
InChIKeyWTZTWDGAKSTREA-UHFFFAOYSA-N
XLogP5.60
TPSA109.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.53
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[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 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155213582) is 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is Nc1nc2cc(-c3cnn(C(c4ccc(C(F)F)nc4)C4CCOCC4)c3)cc(-c3ccc(C(F)(F)F)nc3)n2n1.
What is the InChIKey of 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is WTZTWDGAKSTREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F5N8O/c28-25(29)20-3-1-17(12-34-20)24(15-5-7-41-8-6-15)39-14-19(13-36-39)18-9-21(40-23(10-18)37-26(33)38-40)16-2-4-22(35-11-16)27(30,31)32/h1-4,9-15,24-25H,5-8H2,(H2,33,38).
What are the key properties of 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 570.53 g/mol, XLogP of 5.60, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[[6-(difluoromethyl)-3-pyridinyl]-(oxan-4-yl)methyl]pyrazol-4-yl]-5-[6-(trifluoromethyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155213582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).