5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide

C125H106F4N24O11S2 — CID 167699938

IUPAC5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc2c(c1)C(=O)N(C)C2.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)n1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)c1
InChIInChI=1S/C27H26N4O3.2C26H21F2N5O2.2C23H19N5O2S/c1-4-34-24-13-18(26(32)30(2)16-21-7-5-6-19-14-28-29-25(19)21)10-11-22(24)17-8-9-20-15-31(3)27(33)23(20)12-17;1-33(14-17-3-2-16(10-27)22-13-31-32-24(17)22)26(34)19-9-23(35-21-4-5-21)25(30-12-19)18-6-15(11-29)7-20(28)8-18;1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18;1-28(12-17-10-25-9-16-11-26-27-22(16)17)23(29)15-2-5-19(20(7-15)30-18-3-4-18)21-6-14(8-24)13-31-21;1-28(12-16-4-2-3-15-11-25-27-21(15)16)23(29)19-8-7-18(20-9-14(10-24)13-31-20)22(26-19)30-17-5-6-17/h5-14H,4,15-16H2,1-3H3,(H,28,29);2-3,6-9,12-13,21H,4-5,10,14H2,1H3,(H,31,32);2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32);2,5-7,9-11,13,18H,3-4,12H2,1H3,(H,26,27);2-4,7-9,11,13,17H,5-6,12H2,1H3,(H,25,27)
InChIKeyYFMIPTMSODZPBX-UHFFFAOYSA-N
MW2260.51 g/mol
LogP23.07
Rot. Bonds32

About 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide

5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide (PubChem CID 167699938) has the molecular formula C125H106F4N24O11S2 and a molecular weight of 2260.51 g/mol. Its IUPAC name is 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide.

Molecular Properties

Compound Name5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide
PubChem CID167699938
Molecular FormulaC125H106F4N24O11S2
Molecular Weight2260.51 g/mol
Exact Mass2258.79
IUPAC Name5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide
SMILESCCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc2c(c1)C(=O)N(C)C2.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)n1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)c1
InChIInChI=1S/C27H26N4O3.2C26H21F2N5O2.2C23H19N5O2S/c1-4-34-24-13-18(26(32)30(2)16-21-7-5-6-19-14-28-29-25(19)21)10-11-22(24)17-8-9-20-15-31(3)27(33)23(20)12-17;1-33(14-17-3-2-16(10-27)22-13-31-32-24(17)22)26(34)19-9-23(35-21-4-5-21)25(30-12-19)18-6-15(11-29)7-20(28)8-18;1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18;1-28(12-17-10-25-9-16-11-26-27-22(16)17)23(29)15-2-5-19(20(7-15)30-18-3-4-18)21-6-14(8-24)13-31-21;1-28(12-16-4-2-3-15-11-25-27-21(15)16)23(29)19-8-7-18(20-9-14(10-24)13-31-20)22(26-19)30-17-5-6-17/h5-14H,4,15-16H2,1-3H3,(H,28,29);2-3,6-9,12-13,21H,4-5,10,14H2,1H3,(H,31,32);2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32);2,5-7,9-11,13,18H,3-4,12H2,1H3,(H,26,27);2-4,7-9,11,13,17H,5-6,12H2,1H3,(H,25,27)
InChIKeyYFMIPTMSODZPBX-UHFFFAOYSA-N
XLogP23.07
TPSA458.13 Ų
H-Bond Donors5
H-Bond Acceptors26
Rotatable Bonds32
Heavy Atoms166
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002260.51
LogP ≤ 523.07
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1026

Analyze 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide with MolForge

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Related Compounds

(2S)-N-[3-(5-acetylthiophen-2-yl)-1H-indazol-5-yl]-1-benzylpyrrolidine-2-carboxamide;(2S)-N-[3-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrrolidine-2-carboxamide;N-[3-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-1-benzylpiperidine-4-carboxamide;(2S)-N-[3-(3-ethoxyphenyl)-1H-indazol-5-yl]-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;(3R)-3-hydroxy-3-phenyl-N-(3-pyridin-3-yl-1H-indazol-5-yl)propanamide;N-(3-naphthalen-2-yl-1H-indazol-5-yl)piperidine-4-carboxamide
CID 159622710
6-(1-benzofuran-2-yl)pyridine-2-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;6-(furan-2-yl)pyridine-2-carbaldehyde;6-(furan-3-yl)pyridine-2-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde;2-[5-(trifluoromethyl)thiophen-2-yl]pyridine-3-carbaldehyde
CID 159638819
2-(1-benzofuran-2-yl)-6-ethenylpyridine;2-[3-(1,1-difluoroethyl)phenyl]pyridine-3-carbaldehyde;6-[3-(1,1-difluoroethyl)phenyl]pyridine-2-carbaldehyde;2-[5-(1,1-difluoroethyl)thiophen-2-yl]pyridine-3-carbaldehyde;2-ethenyl-6-(furan-2-yl)pyridine;2-ethenyl-6-(furan-3-yl)pyridine;2-ethenyl-6-[2-(trifluoromethyl)phenyl]pyridine;2-ethenyl-6-[4-(trifluoromethyl)phenyl]pyridine;2-(furan-2-yl)pyridine-3-carbaldehyde;2-(furan-3-yl)pyridine-3-carbaldehyde;2-(1H-pyrazol-5-yl)pyridine-3-carbaldehyde;2-thiophen-3-ylpyridine-3-carbaldehyde;2-[2-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 162168779
6-cyclopropyloxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;3-(1,1-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-(1,1-difluoroethoxy)-N-methyl-4-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-ethynyl-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-prop-1-ynylbenzamide
CID 167560068
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
N-(1-benzofuran-2-ylmethyl)-7-fluoro-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-(furan-3-ylmethyl)-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-N-[(5-methylfuran-2-yl)methyl]-3-naphthalen-2-yl-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-(pyridin-3-ylmethyl)-2H-indazole-5-carboxamide;7-fluoro-3-naphthalen-2-yl-N-(thiophen-2-ylmethyl)-2H-indazole-5-carboxamide
CID 160419240
2-[(3S)-1-(1-benzothiophen-3-ylmethyl)piperidin-3-yl]-1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]ethanone;3-(2,3-dihydro-1-benzofuran-5-yl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;3-(4-fluorophenyl)-N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide;1-[3-(2-methyl-1,3-benzoxazol-5-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-[(3S)-1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanone;N-[(4R)-1-methyl-4-(2-methylphenyl)pyrrolidin-3-yl]-3-(1-methylpyrazol-4-yl)-1,4,6,7-tetrahydropyrrolo[3,4-c]pyridine-5-carboxamide
CID 160740966
4-cyano-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylindazole-6-carboxamide;3-(3-cyclopropylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[6-(1-fluoroethoxy)-2-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropan-2-yl)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(2-fluoropropoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 163901508
N-[(5-cyano-1H-indazol-7-yl)methyl]-6-(3-cyanophenyl)-5-ethoxy-N-methylpyridine-3-carboxamide;N-[(5-cyano-1H-indazol-7-yl)methyl]-5-ethoxy-6-(3-fluorophenyl)-N-methylpyridine-3-carboxamide;3-cyclopropyl-4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylbenzamide;5-ethoxy-6-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridazine-3-carboxamide
CID 167569684
N-[(4-cyano-1H-indazol-7-yl)methyl]-3-ethoxy-4-(3-fluorophenyl)-N-methylbenzamide;6-cyclopropyloxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;5-(3,5-difluorophenyl)-N-(1H-indazol-7-ylmethyl)-6-methoxy-N-methylpyridine-2-carboxamide;6-ethoxy-5-(2-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;6-ethoxy-5-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide
CID 167570465
6-cyclopropyloxy-N-[(7-fluoro-3H-isoindol-4-yl)methyl]-5-(3-fluorophenyl)-N-methylpyridine-2-carboxamide;3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-b]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[5,4-c]pyridin-7-ylmethyl)benzamide;4-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyl-3-(1-methylcyclopropyl)oxybenzamide
CID 167579459
3-(2,2-difluoroethoxy)-4-(3-fluorophenyl)-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;5-ethoxy-2-(3-fluorophenyl)-N-(1H-indazol-7-ylmethyl)-N-methyltriazole-4-carboxamide;6-ethoxy-N-methyl-5-phenyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)pyridine-2-carboxamide;4-(3-fluorophenyl)-N-methyl-3-(oxetan-3-yloxy)-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide
CID 167580192

Frequently Asked Questions

What is the IUPAC name of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide?
The IUPAC name of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide (CID 167699938) is 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide.
What is the SMILES notation for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide?
The canonical SMILES for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide is CCOc1cc(C(=O)N(C)Cc2cccc3cn[nH]c23)ccc1-c1ccc2c(c1)C(=O)N(C)C2.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1ccc(-c2cc(F)cc(C#N)c2)c(OC2CC2)n1.CN(Cc1ccc(CF)c2cn[nH]c12)C(=O)c1cnc(-c2cc(F)cc(C#N)c2)c(OC2CC2)c1.CN(Cc1cccc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)n1.CN(Cc1cncc2cn[nH]c12)C(=O)c1ccc(-c2cc(C#N)cs2)c(OC2CC2)c1.
What is the InChIKey of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide?
The InChIKey is YFMIPTMSODZPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3.2C26H21F2N5O2.2C23H19N5O2S/c1-4-34-24-13-18(26(32)30(2)16-21-7-5-6-19-14-28-29-25(19)21)10-11-22(24)17-8-9-20-15-31(3)27(33)23(20)12-17;1-33(14-17-3-2-16(10-27)22-13-31-32-24(17)22)26(34)19-9-23(35-21-4-5-21)25(30-12-19)18-6-15(11-29)7-20(28)8-18;1-33(14-17-3-2-16(11-27)22-13-30-32-24(17)22)26(34)23-7-6-21(25(31-23)35-20-4-5-20)18-8-15(12-29)9-19(28)10-18;1-28(12-17-10-25-9-16-11-26-27-22(16)17)23(29)15-2-5-19(20(7-15)30-18-3-4-18)21-6-14(8-24)13-31-21;1-28(12-16-4-2-3-15-11-25-27-21(15)16)23(29)19-8-7-18(20-9-14(10-24)13-31-20)22(26-19)30-17-5-6-17/h5-14H,4,15-16H2,1-3H3,(H,28,29);2-3,6-9,12-13,21H,4-5,10,14H2,1H3,(H,31,32);2-3,6-10,13,20H,4-5,11,14H2,1H3,(H,30,32);2,5-7,9-11,13,18H,3-4,12H2,1H3,(H,26,27);2-4,7-9,11,13,17H,5-6,12H2,1H3,(H,25,27).
What are the key properties of 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide?
5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide has a molecular weight of 2260.51 g/mol, XLogP of 23.07, 32 rotatable bonds, 5 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyano-5-fluorophenyl)-6-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-2-carboxamide;6-(3-cyano-5-fluorophenyl)-5-cyclopropyloxy-N-[[4-(fluoromethyl)-1H-indazol-7-yl]methyl]-N-methylpyridine-3-carboxamide;5-(4-cyanothiophen-2-yl)-6-cyclopropyloxy-N-(1H-indazol-7-ylmethyl)-N-methylpyridine-2-carboxamide;4-(4-cyanothiophen-2-yl)-3-cyclopropyloxy-N-methyl-N-(1H-pyrazolo[4,3-c]pyridin-7-ylmethyl)benzamide;3-ethoxy-N-(1H-indazol-7-ylmethyl)-N-methyl-4-(2-methyl-3-oxo-1H-isoindol-5-yl)benzamide is sourced from PubChem (CID 167699938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).