2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C26H29F3N8O3 — CID 155213572

IUPAC2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C26H29F3N8O3/c1-25(2,14-38)34-23(39)19-9-17(12-37-22(19)33-24(30)35-37)18-11-32-36(13-18)21(15-5-7-40-8-6-15)16-3-4-20(31-10-16)26(27,28)29/h3-4,9-13,15,21,38H,5-8,14H2,1-2H3,(H2,30,35)(H,34,39)
InChIKeyTYOYWPNHPHFXJP-UHFFFAOYSA-N
MW558.57 g/mol
LogP3.11
Rot. Bonds7

About 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 155213572) has the molecular formula C26H29F3N8O3 and a molecular weight of 558.57 g/mol. Its IUPAC name is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID155213572
Molecular FormulaC26H29F3N8O3
Molecular Weight558.57 g/mol
Exact Mass558.23
IUPAC Name2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESCC(C)(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C26H29F3N8O3/c1-25(2,14-38)34-23(39)19-9-17(12-37-22(19)33-24(30)35-37)18-11-32-36(13-18)21(15-5-7-40-8-6-15)16-3-4-20(31-10-16)26(27,28)29/h3-4,9-13,15,21,38H,5-8,14H2,1-2H3,(H2,30,35)(H,34,39)
InChIKeyTYOYWPNHPHFXJP-UHFFFAOYSA-N
XLogP3.11
TPSA145.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.57
LogP ≤ 53.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 155213572) is 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is CC(C)(CO)NC(=O)c1cc(-c2cnn(C(c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is TYOYWPNHPHFXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N8O3/c1-25(2,14-38)34-23(39)19-9-17(12-37-22(19)33-24(30)35-37)18-11-32-36(13-18)21(15-5-7-40-8-6-15)16-3-4-20(31-10-16)26(27,28)29/h3-4,9-13,15,21,38H,5-8,14H2,1-2H3,(H2,30,35)(H,34,39).
What are the key properties of 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 558.57 g/mol, XLogP of 3.11, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-6-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 155213572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).