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

C25H27F3N8O3 — CID 167418744

IUPAC2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2cnn([C@H](c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38)/t14-,21-/m0/s1
InChIKeyKLAJFBTVNUFDQG-QKKBWIMNSA-N
MW544.54 g/mol
LogP2.72
Rot. Bonds7

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

2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 167418744) has the molecular formula C25H27F3N8O3 and a molecular weight of 544.54 g/mol. Its IUPAC name is 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID167418744
Molecular FormulaC25H27F3N8O3
Molecular Weight544.54 g/mol
Exact Mass544.22
IUPAC Name2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESC[C@@H](CO)NC(=O)c1cc(-c2cnn([C@H](c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12
InChIInChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38)/t14-,21-/m0/s1
InChIKeyKLAJFBTVNUFDQG-QKKBWIMNSA-N
XLogP2.72
TPSA145.48 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.54
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide with MolForge

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Related Compounds

N-[(1R,2R)-2-methoxycyclobutyl]-7-(methylamino)-5-(7-propan-2-ylpyrrolo[2,3-c]pyridazin-5-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 146572572
[6-{[(1S)-1-(5-fluoropyridin-2-yl)ethyl]amino}-1-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl](morpholin-4-yl)methanone
CID 138105934
5-[5-[[(3S)-oxolan-3-yl]amino]-6-(1-propan-2-ylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-(trideuteriomethyl)pyridine-3-carboxamide
CID 168274914
2-[(4-Hydroxycyclohexyl)amino]-4-[4-(1-methylpyrrolo[2,3-b]pyridin-5-yl)-3-propan-2-ylpyrazolo[3,4-b]pyridin-1-yl]benzamide
CID 49871988
1-(1-Methylethyl)-N-[(6-methyl-2-oxo-4-propyl-1,2-dihydro-3-pyridinyl)methyl]-6-(4-pyridinyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 56597562
2-[(4-Hydroxycyclohexyl)amino]-4-(3-propan-2-yl-4-pyridin-3-ylpyrazolo[3,4-b]pyridin-1-yl)benzamide
CID 67501291
1-Methyl-4-((6-(1-methyl-1H-pyrazol-4-YL)pyridin-3-YL)methyl)-N-(tetrahydro-2H-pyran-4-YL)-1H-pyrrolo[2,3-B]pyridine-6-carboxamide
CID 137701968
N-(2,2-dimethyloxan-4-yl)-1-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145982518
1-methyl-4-[[6-(1-methylpyrazol-3-yl)-3-pyridinyl]methyl]-N-(oxan-4-yl)pyrrolo[2,3-b]pyridine-6-carboxamide
CID 145984556
4-[4-amino-1-[(4R)-2-(2-hydroxyethyl)-4,5,6,7-tetrahydroindazol-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901411
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-[1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]piperidin-4-yl]pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90240949
2-fluoro-N-[6-[3-(4-fluorophenyl)-1-methyl-5-(oxan-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]pyridine-4-carboxamide
CID 90241809

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 167418744) is 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is C[C@@H](CO)NC(=O)c1cc(-c2cnn([C@H](c3ccc(C(F)(F)F)nc3)C3CCOCC3)c2)cn2nc(N)nc12.
What is the InChIKey of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is KLAJFBTVNUFDQG-QKKBWIMNSA-N. The full InChI is InChI=1S/C25H27F3N8O3/c1-14(13-37)32-23(38)19-8-17(11-36-22(19)33-24(29)34-36)18-10-31-35(12-18)21(15-4-6-39-7-5-15)16-2-3-20(30-9-16)25(26,27)28/h2-3,8-12,14-15,21,37H,4-7,13H2,1H3,(H2,29,34)(H,32,38)/t14-,21-/m0/s1.
What are the key properties of 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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 544.54 g/mol, XLogP of 2.72, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(2S)-1-hydroxypropan-2-yl]-6-[1-[(S)-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 167418744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).