4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine

C46H36F8N14O5 — CID 165029348

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H17F4N7O2.C15H12N6O2.C8H7F4NO/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-3H,4,13H2
InChIKeyMJXSXKKGHTWEST-UHFFFAOYSA-N
MW1016.87 g/mol
LogP7.58
Rot. Bonds9

About 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine (PubChem CID 165029348) has the molecular formula C46H36F8N14O5 and a molecular weight of 1016.87 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine
PubChem CID165029348
Molecular FormulaC46H36F8N14O5
Molecular Weight1016.87 g/mol
Exact Mass1016.29
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.NCc1cc(OC(F)(F)F)ccc1F
InChIInChI=1S/C23H17F4N7O2.C15H12N6O2.C8H7F4NO/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-3H,4,13H2
InChIKeyMJXSXKKGHTWEST-UHFFFAOYSA-N
XLogP7.58
TPSA258.94 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001016.87
LogP ≤ 57.58
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine with MolForge

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Related Compounds

US20240025884, Example 481
CID 170672844
US20240025884, Example 395
CID 170673134
US20240025884, Example 403
CID 170673135
4-[[[3-Fluoro-5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 90773669
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(difluoromethoxy)-4-fluorophenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[4-fluoro-3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 90952395
4-[[[5-[[3-(Difluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 90980484
7-N-[(2-carbamoylphenyl)methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-3-fluoro-5-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91281578
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91294736
4-[[[5-[[3-(Difluoromethoxy)phenyl]methylcarbamoyl]-3-fluoropyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]-2-methylbenzoic acid
CID 91406903
7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethoxy)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(4-acetyl-3-methylphenyl)methyl]-5-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91509718
7-N-[(1S)-5-acetyl-4-methyl-2,3-dihydro-1H-inden-1-yl]-5-N-[(4-fluoro-3-methoxyphenyl)methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide;7-N-[(1S)-4,5-dimethyl-2,3-dihydro-1H-inden-1-yl]-3-fluoro-5-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]pyrazolo[1,5-a]pyrimidine-5,7-dicarboxamide
CID 91550279
2-Methyl-4-[[[5-[[3-(trifluoromethoxy)phenyl]methylcarbamoyl]pyrazolo[1,5-a]pyrimidine-7-carbonyl]amino]methyl]benzoic acid
CID 91609089

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine (CID 165029348) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(OC(F)(F)F)ccc3F)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.NCc1cc(OC(F)(F)F)ccc1F.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine?
The InChIKey is MJXSXKKGHTWEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F4N7O2.C15H12N6O2.C8H7F4NO/c1-33-19-8-13(21(35)29-10-14-6-15(2-3-18(14)24)36-23(25,26)27)7-16(17(19)11-30-33)12-4-5-34-20(9-12)31-22(28)32-34;1-20-12-5-9(14(22)23)4-10(11(12)7-17-20)8-2-3-21-13(6-8)18-15(16)19-21;9-7-2-1-6(3-5(7)4-13)14-8(10,11)12/h2-9,11H,10H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-3H,4,13H2.
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine has a molecular weight of 1016.87 g/mol, XLogP of 7.58, 9 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;[2-fluoro-5-(trifluoromethoxy)phenyl]methanamine is sourced from PubChem (CID 165029348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).