5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

C98H89F6N21O12 — CID 167626010

IUPAC5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cnc(OC)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(C(F)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C26H23FN6O3.C26H26FN5O4.C23H20F3N5O2.C23H20FN5O3/c1-4-36-23-10-16(5-7-18(23)15-6-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-12-30-22(11-28)20-13-31-32-24(17)20;1-5-36-22-11-16(6-8-18(22)15-7-9-21(27)19(10-15)24(33)28-2)26(34)32(3)14-17-12-29-25(35-4)20-13-30-31-23(17)20;1-3-33-19-8-15(11-28-21(19)14-5-4-6-18(7-14)23(24,25)26)22(32)31(2)13-17-10-27-9-16-12-29-30-20(16)17;1-29(11-17-8-25-7-16-10-27-28-21(16)17)23(30)15-6-20(32-19-12-31-13-19)22(26-9-15)14-3-2-4-18(24)5-14/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32);6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31);4-12H,3,13H2,1-2H3,(H,29,30);2-10,19H,11-13H2,1H3,(H,27,28)
InChIKeyNCMIJNNNCAXBKI-UHFFFAOYSA-N
MW1866.91 g/mol
LogP15.39
Rot. Bonds27

About 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide

5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (PubChem CID 167626010) has the molecular formula C98H89F6N21O12 and a molecular weight of 1866.91 g/mol. Its IUPAC name is 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
PubChem CID167626010
Molecular FormulaC98H89F6N21O12
Molecular Weight1866.91 g/mol
Exact Mass1865.69
IUPAC Name5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide
SMILESCCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cnc(OC)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(C(F)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cccc(F)c2)c(OC2COC2)c1
InChIInChI=1S/C26H23FN6O3.C26H26FN5O4.C23H20F3N5O2.C23H20FN5O3/c1-4-36-23-10-16(5-7-18(23)15-6-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-12-30-22(11-28)20-13-31-32-24(17)20;1-5-36-22-11-16(6-8-18(22)15-7-9-21(27)19(10-15)24(33)28-2)26(34)32(3)14-17-12-29-25(35-4)20-13-30-31-23(17)20;1-3-33-19-8-15(11-28-21(19)14-5-4-6-18(7-14)23(24,25)26)22(32)31(2)13-17-10-27-9-16-12-29-30-20(16)17;1-29(11-17-8-25-7-16-10-27-28-21(16)17)23(30)15-6-20(32-19-12-31-13-19)22(26-9-15)14-3-2-4-18(24)5-14/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32);6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31);4-12H,3,13H2,1-2H3,(H,29,30);2-10,19H,11-13H2,1H3,(H,27,28)
InChIKeyNCMIJNNNCAXBKI-UHFFFAOYSA-N
XLogP15.39
TPSA410.67 Ų
H-Bond Donors6
H-Bond Acceptors23
Rotatable Bonds27
Heavy Atoms137
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001866.91
LogP ≤ 515.39
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1023

Analyze 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide with MolForge

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Related Compounds

2-[4-[6-(5,6-diethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-diethoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one;2-[4-[6-(5,6-dimethoxy-3-pyridinyl)-4-methyl-3-oxo-1H-isoindol-2-yl]pyrazol-1-yl]acetonitrile;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2S)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;5-(5,6-dimethoxy-3-pyridinyl)-7-methyl-2-[1-[(2R)-1,1,1-trifluoro-3-hydroxypropan-2-yl]pyrazol-4-yl]-3H-isoindol-1-one;2-(5,6-dimethoxy-3-pyridinyl)-6-(1H-pyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one;5-(6-ethoxy-5-methoxy-3-pyridinyl)-7-methyl-2-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-3H-isoindol-1-one
CID 158576486
bis(4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-(3-fluoro-2H-indazol-5-yl)but-1-en-2-yl]-N-methylbenzamide);4-[(Z)-1-[6-[(3R)-1-[(E)-4-(dimethylamino)-4-oxobut-2-enyl]piperidin-3-yl]oxy-3-pyridinyl]-4,4,4-trifluoro-1-[3-fluoro-1-(oxan-2-yl)indazol-5-yl]but-1-en-2-yl]-N-methylbenzamide;3-fluoro-1-(oxan-2-yl)-5-(4,4,4-trifluorobut-1-ynyl)indazole;4-iodo-N-methylbenzamide;(E)-4-[(3R)-3-[(5-iodo-2-pyridinyl)oxy]piperidin-1-yl]-N,N-dimethylbut-2-enamide
CID 167542276
4-cyclopropyl-N-(1H-indazol-7-ylmethyl)-N-methyl-3-propoxybenzamide;7-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-1H-indazole-5-carboxamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(trifluoromethyl)benzamide;N-(1H-indazol-7-ylmethyl)-N-methyl-4-propoxypyridine-2-carboxamide;N-(1H-indazol-7-ylmethyl)-N-methyl-5-propoxypyridine-3-carboxamide
CID 167695586
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylbenzamide;4-(3-cyanophenyl)-3-(1,1-difluoroethoxy)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;6-cyclopropyloxy-3-fluoro-N-[(4-fluoro-1H-indazol-7-yl)methyl]-N-methyl-5-phenylpyridine-2-carboxamide;3-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-N-methylpyridine-2-carboxamide;5-[2-ethoxy-4-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide
CID 167701277
4-(3-cyano-5-fluorophenyl)-N-[(5-cyano-1H-indazol-7-yl)methyl]-3-methoxy-N-methylbenzamide;N-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;3-cyclopropyloxy-N-[(4-fluoro-1H-indazol-7-yl)methyl]-4-(3-fluorophenyl)-N-methylbenzamide;3-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-4-[3-(trifluoromethyl)phenyl]benzamide
CID 167703908
3-ethoxy-N-[2-[3-[[7-[1-[[3-ethoxy-4-(3-fluorophenyl)benzoyl]-methylamino]-2-(3-hydroxyazetidin-1-yl)ethyl]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]pyrrolidin-1-yl]-1-(1H-pyrazolo[4,3-c]pyridin-7-yl)ethyl]-4-(3-fluorophenyl)-N-methylbenzamide
CID 177350275
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide;3-fluoro-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-2-methoxybenzamide;N-[(6-fluoro-3-naphthalen-2-yl-1H-indazol-5-yl)methyl]-3-methoxybenzamide
CID 157363441
1-(3-Ethoxy-2-fluorobenzoyl)spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;(8-fluoro-2-methylspiro[chromeno[4,3-c]pyrazole-4,4'-piperidine]-1'-yl)-[4-(2-hydroxypropan-2-yl)phenyl]methanone;(4-methoxy-1-methylindol-3-yl)-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone
CID 158669549
3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;N-[[3-(3-fluorophenyl)-4-methoxy-1H-indazol-5-yl]methyl]-3-methoxybenzamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]pyridine-3-carboxamide
CID 159844467
3-cyano-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide;3-cyano-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide;3-fluoro-N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]benzamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-5-methoxypyridine-3-carboxamide;N-[[6-fluoro-3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]pyridine-3-carboxamide;3-fluoro-N-[[3-(3-fluorophenyl)-6-methoxy-1H-indazol-5-yl]methyl]benzamide
CID 160350185
1-(4-ethyl-3-methoxybenzoyl)-N,N-dimethylspiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-7'-carboxamide;[2-(4-fluorophenoxy)-3-pyridinyl]-(1-methylspiro[chromeno[3,4-d]pyrazole-4,4'-piperidine]-1'-yl)methanone;1-[4-(3-hydroxyoxetan-3-yl)benzoyl]spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1'-carbonitrile;molecular hydrogen
CID 162175149
4-(3-cyanophenyl)-3-cyclopropyloxy-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-cyclopropyloxy-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-2-fluoro-N-[[4-(fluoromethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-4-(3-fluorophenyl)-N-methylbenzamide;5-ethoxy-2-fluoro-4-(3-fluorophenyl)-N-[[4-(hydroxymethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide;3-ethoxy-4-(3-fluorophenyl)-N-[[4-(1-hydroxyethyl)-1H-pyrazolo[4,5-c]pyridin-7-yl]methyl]-N-methylbenzamide
CID 167531868

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide (CID 167626010) is 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is CCOc1cc(C(=O)N(C)Cc2cnc(C#N)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cnc(OC)c3cn[nH]c23)ccc1-c1ccc(F)c(C(=O)NC)c1.CCOc1cc(C(=O)N(C)Cc2cncc3cn[nH]c23)cnc1-c1cccc(C(F)(F)F)c1.CN(Cc1cncc2cn[nH]c12)C(=O)c1cnc(-c2cccc(F)c2)c(OC2COC2)c1.
What is the InChIKey of 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NCMIJNNNCAXBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O3.C26H26FN5O4.C23H20F3N5O2.C23H20FN5O3/c1-4-36-23-10-16(5-7-18(23)15-6-8-21(27)19(9-15)25(34)29-2)26(35)33(3)14-17-12-30-22(11-28)20-13-31-32-24(17)20;1-5-36-22-11-16(6-8-18(22)15-7-9-21(27)19(10-15)24(33)28-2)26(34)32(3)14-17-12-29-25(35-4)20-13-30-31-23(17)20;1-3-33-19-8-15(11-28-21(19)14-5-4-6-18(7-14)23(24,25)26)22(32)31(2)13-17-10-27-9-16-12-29-30-20(16)17;1-29(11-17-8-25-7-16-10-27-28-21(16)17)23(30)15-6-20(32-19-12-31-13-19)22(26-9-15)14-3-2-4-18(24)5-14/h5-10,12-13H,4,14H2,1-3H3,(H,29,34)(H,31,32);6-13H,5,14H2,1-4H3,(H,28,33)(H,30,31);4-12H,3,13H2,1-2H3,(H,29,30);2-10,19H,11-13H2,1H3,(H,27,28).
What are the key properties of 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide?
5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide has a molecular weight of 1866.91 g/mol, XLogP of 15.39, 27 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(4-cyano-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]-2-ethoxyphenyl]-2-fluoro-N-methylbenzamide;5-[2-ethoxy-4-[(4-methoxy-1H-pyrazolo[4,5-c]pyridin-7-yl)methyl-methylcarbamoyl]phenyl]-2-fluoro-N-methylbenzamide;5-ethoxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide;6-(3-fluorophenyl)-N-methyl-5-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 167626010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).