N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide

C26H24F3N5O2 — CID 70929587

IUPACN-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(C(F)(F)F)c4)nc23)cc1
InChIInChI=1S/C26H24F3N5O2/c1-15(2)36-19-10-5-16(6-11-19)20-4-3-13-34-23(20)32-25(33-34)31-18-9-12-21(22(14-18)26(27,28)29)24(35)30-17-7-8-17/h3-6,9-15,17H,7-8H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyMAMYSXLSXQAEFU-UHFFFAOYSA-N
MW495.51 g/mol
LogP5.84
Rot. Bonds7

About N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide

N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide (PubChem CID 70929587) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide
PubChem CID70929587
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC NameN-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide
SMILESCC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(C(F)(F)F)c4)nc23)cc1
InChIInChI=1S/C26H24F3N5O2/c1-15(2)36-19-10-5-16(6-11-19)20-4-3-13-34-23(20)32-25(33-34)31-18-9-12-21(22(14-18)26(27,28)29)24(35)30-17-7-8-17/h3-6,9-15,17H,7-8H2,1-2H3,(H,30,35)(H,31,33)
InChIKeyMAMYSXLSXQAEFU-UHFFFAOYSA-N
XLogP5.84
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.51
LogP ≤ 55.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide (CID 70929587) is N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide is CC(C)Oc1ccc(-c2cccn3nc(Nc4ccc(C(=O)NC5CC5)c(C(F)(F)F)c4)nc23)cc1.
What is the InChIKey of N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide?
The InChIKey is MAMYSXLSXQAEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-15(2)36-19-10-5-16(6-11-19)20-4-3-13-34-23(20)32-25(33-34)31-18-9-12-21(22(14-18)26(27,28)29)24(35)30-17-7-8-17/h3-6,9-15,17H,7-8H2,1-2H3,(H,30,35)(H,31,33).
What are the key properties of N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide?
N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide has a molecular weight of 495.51 g/mol, XLogP of 5.84, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[8-(4-propan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 70929587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).