N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide

C47H37F3N10O4 — CID 90106944

IUPACN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccccc1
InChIInChI=1S/C24H18F3N5O2.C23H19N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15;29-21(16-5-2-1-3-6-16)24-18-13-11-15(12-14-18)19-7-4-8-20-25-23(27-28(19)20)26-22(30)17-9-10-17/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34);1-8,11-14,17H,9-10H2,(H,24,29)(H,26,27,30)
InChIKeyCZRKJOBAYDSCOF-UHFFFAOYSA-N
MW862.87 g/mol
LogP9.01
Rot. Bonds10

About N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide

N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide (PubChem CID 90106944) has the molecular formula C47H37F3N10O4 and a molecular weight of 862.87 g/mol. Its IUPAC name is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
PubChem CID90106944
Molecular FormulaC47H37F3N10O4
Molecular Weight862.87 g/mol
Exact Mass862.30
IUPAC NameN-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccccc1
InChIInChI=1S/C24H18F3N5O2.C23H19N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15;29-21(16-5-2-1-3-6-16)24-18-13-11-15(12-14-18)19-7-4-8-20-25-23(27-28(19)20)26-22(30)17-9-10-17/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34);1-8,11-14,17H,9-10H2,(H,24,29)(H,26,27,30)
InChIKeyCZRKJOBAYDSCOF-UHFFFAOYSA-N
XLogP9.01
TPSA176.78 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500862.87
LogP ≤ 59.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Analyze N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide (CID 90106944) is N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide is O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccc(C(F)(F)F)cc1.O=C(Nc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
The InChIKey is CZRKJOBAYDSCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N5O2.C23H19N5O2/c25-24(26,27)17-10-6-16(7-11-17)21(33)28-18-12-8-14(9-13-18)19-2-1-3-20-29-23(31-32(19)20)30-22(34)15-4-5-15;29-21(16-5-2-1-3-6-16)24-18-13-11-15(12-14-18)19-7-4-8-20-25-23(27-28(19)20)26-22(30)17-9-10-17/h1-3,6-13,15H,4-5H2,(H,28,33)(H,30,31,34);1-8,11-14,17H,9-10H2,(H,24,29)(H,26,27,30).
What are the key properties of N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide?
N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide has a molecular weight of 862.87 g/mol, XLogP of 9.01, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]benzamide;N-[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 90106944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).