4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol

C74H71F5N16O11 — CID 165084321

IUPAC4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.N#Cc1cc(F)ccc1F.N#Cc1cc(F)ccc1OC1CCOC1.NCc1cc(F)ccc1OC1CCOC1.OC1CCOC1
InChIInChI=1S/C26H24FN7O3.C15H12N6O2.C11H14FNO2.C11H10FNO2.C7H3F2N.C4H8O2/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19;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;2*12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10;8-6-1-2-7(9)5(3-6)4-10;5-4-1-2-6-3-4/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-2,5,10H,3-4,6-7,13H2;1-2,5,10H,3-4,7H2;1-3H;4-5H,1-3H2
InChIKeyVQCJPGKEIZCSLS-UHFFFAOYSA-N
MW1455.47 g/mol
LogP9.59
Rot. Bonds13

About 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol (PubChem CID 165084321) has the molecular formula C74H71F5N16O11 and a molecular weight of 1455.47 g/mol. Its IUPAC name is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol.

Molecular Properties

Compound Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol
PubChem CID165084321
Molecular FormulaC74H71F5N16O11
Molecular Weight1455.47 g/mol
Exact Mass1454.54
IUPAC Name4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol
SMILESCn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.N#Cc1cc(F)ccc1F.N#Cc1cc(F)ccc1OC1CCOC1.NCc1cc(F)ccc1OC1CCOC1.OC1CCOC1
InChIInChI=1S/C26H24FN7O3.C15H12N6O2.C11H14FNO2.C11H10FNO2.C7H3F2N.C4H8O2/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19;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;2*12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10;8-6-1-2-7(9)5(3-6)4-10;5-4-1-2-6-3-4/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-2,5,10H,3-4,6-7,13H2;1-2,5,10H,3-4,7H2;1-3H;4-5H,1-3H2
InChIKeyVQCJPGKEIZCSLS-UHFFFAOYSA-N
XLogP9.59
TPSA372.90 Ų
H-Bond Donors6
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms106
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001455.47
LogP ≤ 59.59
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1025

Analyze 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol with MolForge

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Related Compounds

4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxan-4-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
CID 155146721
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[(2-cyclopentyloxy-5-fluorophenyl)methyl]-1-methylindazole-6-carboxamide
CID 155146732
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide
CID 155146750
6-[2-[(2R)-4-acetyl-2-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylindazol-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(3,6-dimethyl-2-pyridinyl)methyl]-2-methylpyrazolo[3,4-b]pyridin-3-one;6-[2-[(3R)-4-acetyl-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[[3-(1-fluoroethoxy)-6-methyl-2-pyridinyl]methyl]-2-methylindazol-3-one;(8aS)-7-[5-[2-methyl-1-[[1-methyl-4-(trifluoromethyl)pyrazol-3-yl]methyl]-3-oxoindazol-6-yl]pyrimidin-2-yl]-1,2,5,6,8,8a-hexahydroimidazo[1,5-a]pyrazin-3-one;6-[2-[(3R)-4-(2-hydroxyacetyl)-3-methylpiperazin-1-yl]pyrimidin-5-yl]-1-[(2-hydroxyphenyl)methyl]-2-methyl-3-oxoindazole-7-carbonitrile
CID 157862665
1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4,5a,9a-tetrahydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-[(3-propan-2-ylphenyl)methyl]morpholine;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159264348
1-tert-butyl-3-(2-methylpropoxy)pyrazole;1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;2-fluoro-1-methyl-4-propan-2-ylbenzene;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;3-methylbutylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;2-methylpropylbenzene;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;(3-propan-2-ylphenyl)methanol;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 159714891
4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzoic acid;4-[6-(3-fluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 160808756
1-tert-butyl-2-propan-2-ylbenzene;N-(2-cyanoethyl)-3-propan-2-ylbenzamide;1,2-difluoro-4-propan-2-ylbenzene;1,3-dimethoxy-5-propan-2-ylbenzene;N,N-dimethyl-4-propan-2-ylbenzamide;2,5-di(propan-2-yl)pyrimidine;1-ethoxy-3-fluoro-5-propan-2-ylbenzene;4-ethoxy-1-fluoro-2-propan-2-ylbenzene;2-fluoro-N,4-di(propan-2-yl)benzamide;3-fluoro-N-methyl-5-propan-2-ylbenzamide;3-fluoro-5-propan-2-ylphenol;1-(methoxymethyl)-4-propan-2-ylbenzene;1-(3-methylbutyl)-4-propan-2-ylpyrazole;2-methyl-4-propan-2-ylindazole;1-(2-methylpropyl)-4-propan-2-ylpyrazole;7-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepine;4-propan-2-yl-1-propylpyrazole;5-propan-2-yl-2-(trifluoromethyl)pyridine
CID 161619890
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-2-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-6-oxo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]pyridine-3-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methyl-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]indazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-6-carboxamide;6-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indole-4-carboxamide
CID 164986520
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide;4-bromo-1H-indazole-6-carboxylic acid;4-bromo-N-[1-[2-(trifluoromethoxy)phenyl]ethyl]-1H-indazole-6-carboxamide;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[2-(trifluoromethoxy)phenyl]ethanamine
CID 165019392
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
4-[2-cyano-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidin-8-yl]-N-[[4-[[[2-cyano-8-[1-(2-hydroxypropyl)pyrazol-4-yl]imidazo[1,2-c]pyrimidin-5-yl]amino]methyl]-5-fluoro-2,3-dihydro-1-benzofuran-7-yl]methyl]-N-methylbenzamide
CID 166671673

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol?
The IUPAC name of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol (CID 165084321) is 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol.
What is the SMILES notation for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol?
The canonical SMILES for 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol is Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)NCc3cc(F)ccc3OC3CCOC3)cc21.Cn1ncc2c(-c3ccn4nc(N)nc4c3)cc(C(=O)O)cc21.N#Cc1cc(F)ccc1F.N#Cc1cc(F)ccc1OC1CCOC1.NCc1cc(F)ccc1OC1CCOC1.OC1CCOC1.
What is the InChIKey of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol?
The InChIKey is VQCJPGKEIZCSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN7O3.C15H12N6O2.C11H14FNO2.C11H10FNO2.C7H3F2N.C4H8O2/c1-33-22-10-16(9-20(21(22)13-30-33)15-4-6-34-24(11-15)31-26(28)32-34)25(35)29-12-17-8-18(27)2-3-23(17)37-19-5-7-36-14-19;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;2*12-9-1-2-11(8(5-9)6-13)15-10-3-4-14-7-10;8-6-1-2-7(9)5(3-6)4-10;5-4-1-2-6-3-4/h2-4,6,8-11,13,19H,5,7,12,14H2,1H3,(H2,28,32)(H,29,35);2-7H,1H3,(H2,16,19)(H,22,23);1-2,5,10H,3-4,6-7,13H2;1-2,5,10H,3-4,7H2;1-3H;4-5H,1-3H2.
What are the key properties of 4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol?
4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol has a molecular weight of 1455.47 g/mol, XLogP of 9.59, 13 rotatable bonds, 6 hydrogen bond donors, and 25 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-[[5-fluoro-2-(oxolan-3-yloxy)phenyl]methyl]-1-methylindazole-6-carboxamide;4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-methylindazole-6-carboxylic acid;2,5-difluorobenzonitrile;5-fluoro-2-(oxolan-3-yloxy)benzonitrile;[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine;oxolan-3-ol is sourced from PubChem (CID 165084321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).