2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol

C30H30F3N7O2 — CID 155231911

IUPAC2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)c1
InChIInChI=1S/C30H30F3N7O2/c1-29(2,41)23-5-3-4-19(12-23)24-13-21(16-40-27(24)37-28(34)38-40)22-15-36-39(17-22)26(18-8-10-42-11-9-18)20-6-7-25(35-14-20)30(31,32)33/h3-7,12-18,26,41H,8-11H2,1-2H3,(H2,34,38)
InChIKeyFDBPUUSEXPRSNN-UHFFFAOYSA-N
MW577.61 g/mol
LogP5.50
Rot. Bonds6

About 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol

2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol (PubChem CID 155231911) has the molecular formula C30H30F3N7O2 and a molecular weight of 577.61 g/mol. Its IUPAC name is 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
PubChem CID155231911
Molecular FormulaC30H30F3N7O2
Molecular Weight577.61 g/mol
Exact Mass577.24
IUPAC Name2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)c1
InChIInChI=1S/C30H30F3N7O2/c1-29(2,41)23-5-3-4-19(12-23)24-13-21(16-40-27(24)37-28(34)38-40)22-15-36-39(17-22)26(18-8-10-42-11-9-18)20-6-7-25(35-14-20)30(31,32)33/h3-7,12-18,26,41H,8-11H2,1-2H3,(H2,34,38)
InChIKeyFDBPUUSEXPRSNN-UHFFFAOYSA-N
XLogP5.50
TPSA116.38 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.61
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol (CID 155231911) is 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol is CC(C)(O)c1cccc(-c2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cn3nc(N)nc23)c1.
What is the InChIKey of 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?
The InChIKey is FDBPUUSEXPRSNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30F3N7O2/c1-29(2,41)23-5-3-4-19(12-23)24-13-21(16-40-27(24)37-28(34)38-40)22-15-36-39(17-22)26(18-8-10-42-11-9-18)20-6-7-25(35-14-20)30(31,32)33/h3-7,12-18,26,41H,8-11H2,1-2H3,(H2,34,38).
What are the key properties of 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol?
2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol has a molecular weight of 577.61 g/mol, XLogP of 5.50, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-amino-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]phenyl]propan-2-ol is sourced from PubChem (CID 155231911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).