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

C27H22F3N7O3 — CID 155146668

IUPAC4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C27H22F3N7O3/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38)
InChIKeyBGTHXODJMSSYCC-UHFFFAOYSA-N
MW549.51 g/mol
LogP5.01
Rot. Bonds7

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

4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (PubChem CID 155146668) has the molecular formula C27H22F3N7O3 and a molecular weight of 549.51 g/mol. Its IUPAC name is 4-[2-(cyclopropanecarbonylamino)-[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-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
PubChem CID155146668
Molecular FormulaC27H22F3N7O3
Molecular Weight549.51 g/mol
Exact Mass549.17
IUPAC Name4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C27H22F3N7O3/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38)
InChIKeyBGTHXODJMSSYCC-UHFFFAOYSA-N
XLogP5.01
TPSA126.30 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.51
LogP ≤ 55.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclopropanecarbonylamino)-[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-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide (CID 155146668) is 4-[2-(cyclopropanecarbonylamino)-[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-(cyclopropanecarbonylamino)-[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-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide is CC(NC(=O)c1cc(-c2ccn3nc(NC(=O)C4CC4)nc3c2)c2cn[nH]c2c1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
The InChIKey is BGTHXODJMSSYCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22F3N7O3/c1-14(18-4-2-3-5-22(18)40-27(28,29)30)32-25(39)17-10-19(20-13-31-35-21(20)11-17)16-8-9-37-23(12-16)33-26(36-37)34-24(38)15-6-7-15/h2-5,8-15H,6-7H2,1H3,(H,31,35)(H,32,39)(H,34,36,38).
What are the key properties of 4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide?
4-[2-(cyclopropanecarbonylamino)-[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 549.51 g/mol, XLogP of 5.01, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclopropanecarbonylamino)-[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 155146668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).