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

C27H26F5N9O — CID 155231920

IUPAC8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(F)(F)Cn1cc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)cn1
InChIInChI=1S/C27H26F5N9O/c1-26(28,29)15-39-12-20(11-35-39)21-8-18(13-41-24(21)37-25(33)38-41)19-10-36-40(14-19)23(16-4-6-42-7-5-16)17-2-3-22(34-9-17)27(30,31)32/h2-3,8-14,16,23H,4-7,15H2,1H3,(H2,33,38)
InChIKeyJUOATQUCTKIJBF-UHFFFAOYSA-N
MW587.56 g/mol
LogP5.12
Rot. Bonds7

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

8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (PubChem CID 155231920) has the molecular formula C27H26F5N9O and a molecular weight of 587.56 g/mol. Its IUPAC name is 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.

Molecular Properties

Compound Name8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
PubChem CID155231920
Molecular FormulaC27H26F5N9O
Molecular Weight587.56 g/mol
Exact Mass587.22
IUPAC Name8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
SMILESCC(F)(F)Cn1cc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)cn1
InChIInChI=1S/C27H26F5N9O/c1-26(28,29)15-39-12-20(11-35-39)21-8-18(13-41-24(21)37-25(33)38-41)19-10-36-40(14-19)23(16-4-6-42-7-5-16)17-2-3-22(34-9-17)27(30,31)32/h2-3,8-14,16,23H,4-7,15H2,1H3,(H2,33,38)
InChIKeyJUOATQUCTKIJBF-UHFFFAOYSA-N
XLogP5.12
TPSA113.97 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.56
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The IUPAC name of 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine (CID 155231920) is 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine.
What is the SMILES notation for 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The canonical SMILES for 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is CC(F)(F)Cn1cc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)cn1.
What is the InChIKey of 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
The InChIKey is JUOATQUCTKIJBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F5N9O/c1-26(28,29)15-39-12-20(11-35-39)21-8-18(13-41-24(21)37-25(33)38-41)19-10-36-40(14-19)23(16-4-6-42-7-5-16)17-2-3-22(34-9-17)27(30,31)32/h2-3,8-14,16,23H,4-7,15H2,1H3,(H2,33,38).
What are the key properties of 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine?
8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine has a molecular weight of 587.56 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(2,2-difluoropropyl)pyrazol-4-yl]-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine is sourced from PubChem (CID 155231920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).