2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

C26H27F3N8O3 — CID 155232042

IUPAC2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(C(=O)N[C@H]3CCOC3)n2n1
InChIInChI=1S/C26H27F3N8O3/c27-26(28,29)21-2-1-16(11-31-21)23(15-3-6-39-7-4-15)36-13-18(12-32-36)17-9-20(24(38)33-19-5-8-40-14-19)37-22(10-17)34-25(30)35-37/h1-2,9-13,15,19,23H,3-8,14H2,(H2,30,35)(H,33,38)/t19-,23?/m0/s1
InChIKeyYIVDAXMKNMHAAX-HSTJUUNISA-N
MW556.55 g/mol
LogP3.12
Rot. Bonds6

About 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide

2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (PubChem CID 155232042) has the molecular formula C26H27F3N8O3 and a molecular weight of 556.55 g/mol. Its IUPAC name is 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.

Molecular Properties

Compound Name2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
PubChem CID155232042
Molecular FormulaC26H27F3N8O3
Molecular Weight556.55 g/mol
Exact Mass556.22
IUPAC Name2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide
SMILESNc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(C(=O)N[C@H]3CCOC3)n2n1
InChIInChI=1S/C26H27F3N8O3/c27-26(28,29)21-2-1-16(11-31-21)23(15-3-6-39-7-4-15)36-13-18(12-32-36)17-9-20(24(38)33-19-5-8-40-14-19)37-22(10-17)34-25(30)35-37/h1-2,9-13,15,19,23H,3-8,14H2,(H2,30,35)(H,33,38)/t19-,23?/m0/s1
InChIKeyYIVDAXMKNMHAAX-HSTJUUNISA-N
XLogP3.12
TPSA134.48 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.55
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The IUPAC name of 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide (CID 155232042) is 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide.
What is the SMILES notation for 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The canonical SMILES for 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is Nc1nc2cc(-c3cnn(C(c4ccc(C(F)(F)F)nc4)C4CCOCC4)c3)cc(C(=O)N[C@H]3CCOC3)n2n1.
What is the InChIKey of 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
The InChIKey is YIVDAXMKNMHAAX-HSTJUUNISA-N. The full InChI is InChI=1S/C26H27F3N8O3/c27-26(28,29)21-2-1-16(11-31-21)23(15-3-6-39-7-4-15)36-13-18(12-32-36)17-9-20(24(38)33-19-5-8-40-14-19)37-22(10-17)34-25(30)35-37/h1-2,9-13,15,19,23H,3-8,14H2,(H2,30,35)(H,33,38)/t19-,23?/m0/s1.
What are the key properties of 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide?
2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide has a molecular weight of 556.55 g/mol, XLogP of 3.12, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-[1-[oxan-4-yl-[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-N-[(3S)-oxolan-3-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxamide is sourced from PubChem (CID 155232042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).