2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone

C87H84F7N29O5 — CID 159737402

IUPAC2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1cncc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O.C21H21FN8O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29;1-13-9-23-11-17(25-13)16-10-24-28(2)20(16)18(31)7-14-3-6-30-19(8-14)26-21(27-30)29-5-4-15(22)12-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3;3,6,8-11,15H,4-5,7,12H2,1-2H3/t14-;15-;16-;15-/m0000/s1
InChIKeyNBZXBDCMMTZZFC-SMUXYJERSA-N
MW1748.81 g/mol
LogP11.03
Rot. Bonds21

About 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone

2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone (PubChem CID 159737402) has the molecular formula C87H84F7N29O5 and a molecular weight of 1748.81 g/mol. Its IUPAC name is 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
PubChem CID159737402
Molecular FormulaC87H84F7N29O5
Molecular Weight1748.81 g/mol
Exact Mass1747.71
IUPAC Name2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
SMILESCOc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1cncc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1
InChIInChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O.C21H21FN8O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29;1-13-9-23-11-17(25-13)16-10-24-28(2)20(16)18(31)7-14-3-6-30-19(8-14)26-21(27-30)29-5-4-15(22)12-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3;3,6,8-11,15H,4-5,7,12H2,1-2H3/t14-;15-;16-;15-/m0000/s1
InChIKeyNBZXBDCMMTZZFC-SMUXYJERSA-N
XLogP11.03
TPSA346.96 Ų
H-Bond Donors
H-Bond Acceptors34
Rotatable Bonds21
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001748.81
LogP ≤ 511.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1034

Analyze 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9777000, Example 4.18
CID 90383490
1-(2-((2S,4R)-4-fluoro-2-(2-fluoro-3-(trifluoromethoxy) phenylcarbamoyl) pyrrolidin-1-yl)-2-oxoethyl)-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)-1H-pyrazolo[3,4-c]pyridine-3-carboxamide
CID 126643310
US9777000, Example 4.5
CID 90383120
US9777000, Example 4.28
CID 90383498
N-[2-(3-fluoropyrrolidin-1-yl)-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-4-(4-methoxy-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 117761346
1-[2-[(2S,4R)-4-fluoro-2-[fluoro-[3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]-5-(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)pyrazolo[3,4-c]pyridine-3-carboxamide
CID 126643311
1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone;2-[2-[(2S)-2-methylpyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157134788
[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
8-(2-ethylphenyl)-5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxy-4-methylphenyl)ethyl]-8-(4-methyl-3-pyridinyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-8-[1-propan-2-yl-3-(trifluoromethyl)pyrazol-4-yl]-[1,2,4]triazolo[4,3-a]pyridine;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-4-methylpyridine-2-carbonitrile;5-[5-[2-(2-fluoro-6-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-N,N,4-trimethylpyridine-2-carboxamide
CID 157204059
2-(2-acetylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;methane;7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-[2-(trifluoromethoxy)phenyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 157230794
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
1-[4-(4-Methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]-2-(2-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone
CID 157514155

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The IUPAC name of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone (CID 159737402) is 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The canonical SMILES for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone is COc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1ccnc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)c1.Cc1cncc(-c2cnn(C)c2C(=O)Cc2ccn3nc(N4CC[C@H](F)C4)nc3c2)n1.Cn1ncc(-c2cccc(C(F)(F)F)n2)c1C(=O)Cc1ccn2nc(N3CC[C@H](F)C3)nc2c1.
What is the InChIKey of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
The InChIKey is NBZXBDCMMTZZFC-SMUXYJERSA-N. The full InChI is InChI=1S/C22H19F4N7O.C22H22FN7O2.C22H22FN7O.C21H21FN8O/c1-31-20(15(11-27-31)16-3-2-4-18(28-16)22(24,25)26)17(34)9-13-5-8-33-19(10-13)29-21(30-33)32-7-6-14(23)12-32;1-28-21(17(12-25-28)18-11-16(32-2)3-6-24-18)19(31)9-14-4-8-30-20(10-14)26-22(27-30)29-7-5-15(23)13-29;1-14-3-6-24-18(9-14)17-12-25-28(2)21(17)19(31)10-15-4-8-30-20(11-15)26-22(27-30)29-7-5-16(23)13-29;1-13-9-23-11-17(25-13)16-10-24-28(2)20(16)18(31)7-14-3-6-30-19(8-14)26-21(27-30)29-5-4-15(22)12-29/h2-5,8,10-11,14H,6-7,9,12H2,1H3;3-4,6,8,10-12,15H,5,7,9,13H2,1-2H3;3-4,6,8-9,11-12,16H,5,7,10,13H2,1-2H3;3,6,8-11,15H,4-5,7,12H2,1-2H3/t14-;15-;16-;15-/m0000/s1.
What are the key properties of 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone?
2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone has a molecular weight of 1748.81 g/mol, XLogP of 11.03, 21 rotatable bonds, 0 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[4-(4-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-(4-methyl-2-pyridinyl)pyrazol-5-yl]ethanone;2-[2-[(3S)-3-fluoropyrrolidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone is sourced from PubChem (CID 159737402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).