4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide

C24H20F3N7O2 — CID 155153399

IUPAC4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCNc1nc2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)cc4[nH]ncc34)ccn2n1
InChIInChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-32-19(18)10-15)14-7-8-34-21(11-14)31-23(28-2)33-34/h3-13H,1-2H3,(H,28,33)(H,29,32)(H,30,35)
InChIKeyCQQTXIRKCDJCBJ-UHFFFAOYSA-N
MW495.47 g/mol
LogP4.70
Rot. Bonds6

About 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide

4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (PubChem CID 155153399) has the molecular formula C24H20F3N7O2 and a molecular weight of 495.47 g/mol. Its IUPAC name is 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide.

Molecular Properties

Compound Name4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
PubChem CID155153399
Molecular FormulaC24H20F3N7O2
Molecular Weight495.47 g/mol
Exact Mass495.16
IUPAC Name4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCNc1nc2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)cc4[nH]ncc34)ccn2n1
InChIInChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-32-19(18)10-15)14-7-8-34-21(11-14)31-23(28-2)33-34/h3-13H,1-2H3,(H,28,33)(H,29,32)(H,30,35)
InChIKeyCQQTXIRKCDJCBJ-UHFFFAOYSA-N
XLogP4.70
TPSA109.23 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.47
LogP ≤ 54.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 135200194
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Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The IUPAC name of 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (CID 155153399) is 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide.
What is the SMILES notation for 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The canonical SMILES for 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide is CNc1nc2cc(-c3cc(C(=O)NC(C)c4ccccc4OC(F)(F)F)cc4[nH]ncc34)ccn2n1.
What is the InChIKey of 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The InChIKey is CQQTXIRKCDJCBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N7O2/c1-13(16-5-3-4-6-20(16)36-24(25,26)27)30-22(35)15-9-17(18-12-29-32-19(18)10-15)14-7-8-34-21(11-14)31-23(28-2)33-34/h3-13H,1-2H3,(H,28,33)(H,29,32)(H,30,35).
What are the key properties of 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide has a molecular weight of 495.47 g/mol, XLogP of 4.70, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide is sourced from PubChem (CID 155153399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).