3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide

C129H150F5N17O25S5 — CID 163414065

IUPAC3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cncc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cncc(-c2nn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc2c1c(-c1cccc(OC(C)F)c1)cn2C1CCOCC1
InChIInChI=1S/C28H33FN2O5S.2C26H30FN3O5S.C25H29FN4O5S.C24H28FN5O5S/c1-18-13-21(27(32)30-28(3)9-12-37(33,34)17-28)15-25-26(18)24(16-31(25)22-7-10-35-11-8-22)20-5-4-6-23(14-20)36-19(2)29;1-17(27)35-21-5-3-4-18(12-21)22-15-30(20-6-9-34-10-7-20)23-13-19(14-28-24(22)23)25(31)29-26(2)8-11-36(32,33)16-26;1-17(27)35-20-5-3-4-18(12-20)22-15-30(19-6-9-34-10-7-19)24-13-23(28-14-21(22)24)25(31)29-26(2)8-11-36(32,33)16-26;1-16(26)35-20-9-17(11-27-13-20)21-14-30(19-3-6-34-7-4-19)22-10-18(12-28-23(21)22)24(31)29-25(2)5-8-36(32,33)15-25;1-15(25)35-19-9-16(11-26-13-19)21-22-20(30(29-21)18-3-6-34-7-4-18)10-17(12-27-22)23(31)28-24(2)5-8-36(32,33)14-24/h4-6,13-16,19,22H,7-12,17H2,1-3H3,(H,30,32);3-5,12-15,17,20H,6-11,16H2,1-2H3,(H,29,31);3-5,12-15,17,19H,6-11,16H2,1-2H3,(H,29,31);9-14,16,19H,3-8,15H2,1-2H3,(H,29,31);9-13,15,18H,3-8,14H2,1-2H3,(H,28,31)/t19?,28-;2*17?,26-;16?,25-;15?,24-/m00000/s1
InChIKeyACWXPKLKCFJMCD-DEWGIILYSA-N
MW2594.04 g/mol
LogP19.38
Rot. Bonds30

About 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide

3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide (PubChem CID 163414065) has the molecular formula C129H150F5N17O25S5 and a molecular weight of 2594.04 g/mol. Its IUPAC name is 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
PubChem CID163414065
Molecular FormulaC129H150F5N17O25S5
Molecular Weight2594.04 g/mol
Exact Mass2591.95
IUPAC Name3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide
SMILESCC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cncc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cncc(-c2nn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc2c1c(-c1cccc(OC(C)F)c1)cn2C1CCOCC1
InChIInChI=1S/C28H33FN2O5S.2C26H30FN3O5S.C25H29FN4O5S.C24H28FN5O5S/c1-18-13-21(27(32)30-28(3)9-12-37(33,34)17-28)15-25-26(18)24(16-31(25)22-7-10-35-11-8-22)20-5-4-6-23(14-20)36-19(2)29;1-17(27)35-21-5-3-4-18(12-21)22-15-30(20-6-9-34-10-7-20)23-13-19(14-28-24(22)23)25(31)29-26(2)8-11-36(32,33)16-26;1-17(27)35-20-5-3-4-18(12-20)22-15-30(19-6-9-34-10-7-19)24-13-23(28-14-21(22)24)25(31)29-26(2)8-11-36(32,33)16-26;1-16(26)35-20-9-17(11-27-13-20)21-14-30(19-3-6-34-7-4-19)22-10-18(12-28-23(21)22)24(31)29-25(2)5-8-36(32,33)15-25;1-15(25)35-19-9-16(11-26-13-19)21-22-20(30(29-21)18-3-6-34-7-4-18)10-17(12-27-22)23(31)28-24(2)5-8-36(32,33)14-24/h4-6,13-16,19,22H,7-12,17H2,1-3H3,(H,30,32);3-5,12-15,17,20H,6-11,16H2,1-2H3,(H,29,31);3-5,12-15,17,19H,6-11,16H2,1-2H3,(H,29,31);9-14,16,19H,3-8,15H2,1-2H3,(H,29,31);9-13,15,18H,3-8,14H2,1-2H3,(H,28,31)/t19?,28-;2*17?,26-;16?,25-;15?,24-/m00000/s1
InChIKeyACWXPKLKCFJMCD-DEWGIILYSA-N
XLogP19.38
TPSA523.38 Ų
H-Bond Donors5
H-Bond Acceptors37
Rotatable Bonds30
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002594.04
LogP ≤ 519.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1037

Analyze 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide 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

2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;2-[5-(2,2-difluoroethoxy)-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4'-methyl-5'-oxo-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-2'-yl]pyridine-3-sulfonamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;2'-(5-ethoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one;2'-(5-methoxy-3-pyridinyl)-4'-methyl-6'-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]spiro[oxolane-3,7'-pyrrolo[3,4-b]pyridine]-5'-one
CID 158123390
2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethylpyrrolo[3,4-b]pyridin-5-one;5-[6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4,7,7-trimethyl-5-oxopyrrolo[3,4-b]pyridin-2-yl]-N-ethyl-2-methoxypyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-N-ethylpyridine-3-carboxamide;5-[4,7-dimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-2-yl]-2-methoxy-N-propan-2-ylpyridine-3-carboxamide;4,7,7-trimethyl-2-(5-methylsulfinyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-ylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 158926627
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159782656
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-oxo-1H-quinolin-4-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160817488
3-[3-(1-fluoroethoxy)phenyl]-N-[4-[(1R)-1-hydroxyethyl]oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[4-[(1S)-1-hydroxyethyl]oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[4-(hydroxymethyl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[4-(2-hydroxypropan-2-yl)oxan-4-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(trifluoromethyl)oxan-4-yl]pyrazolo[4,3-b]pyridine-6-carboxamide
CID 163422714
1-[3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]pyrazolo[4,3-c]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone
CID 163588458
3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2S)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-ethoxy-5-fluoro-4-pyridinyl)-N-[(1S,2R)-2-hydroxy-1-methylcyclopentyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;(4-ethylpiperazin-1-yl)-[3-[5-(1-fluoroethoxy)-3-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]methanone;3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-1-[(2R)-3-hydroxy-3-methylbutan-2-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-c]pyridine-6-carboxamide;methane
CID 163608177
1-[1-(3,3-difluorocyclobutyl)-3-[3-(1-fluoroethoxy)phenyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;bis(3-[3-[3-(1-fluoroethoxy)phenyl]-6-[2-(3-methyl-1,1-dioxothietan-3-yl)acetyl]pyrazolo[4,3-b]pyridin-1-yl]-1-methylcyclobutane-1-carbonitrile);1-[3-[3-(1-fluoroethoxy)phenyl]-4-methyl-1-(oxan-4-yl)indazol-6-yl]-2-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]ethanone
CID 163624059
1-[3-[2-(2,2-Difluoropropoxy)-5-fluoro-4-pyridinyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[1-ethyl-3-[5-fluoro-2-(2-fluoropropoxy)-4-pyridinyl]pyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;1-[3-[3-hydroxy-4-(prop-1-en-2-ylamino)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]-2-(3-methyl-1,1-dioxothietan-3-yl)ethanone;2-(3-methyl-1,1-dioxothietan-3-yl)-1-[3-(2-methyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridin-6-yl]ethanone
CID 163629694
1-[(2S)-butan-2-yl]-3-[5-fluoro-2-(1-fluoroethoxy)-4-pyridinyl]-N-(4-methyl-1,1-dioxothian-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-cyclopropyl-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-2-fluorophenyl]-N-(4-methyl-1,1-dioxothian-4-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1,1-difluoroethoxy)-3-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(5-ethoxy-2-fluorophenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 163672518
N-[3,3-difluoro-1-(hydroxymethyl)cyclobutyl]-3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;N-[1-(dimethylamino)-2-methylpropan-2-yl]-3-[2-fluoro-5-(1-fluoroethoxy)phenyl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-[(1S)-1-hydroxyethyl]oxolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(3R,4S)-4-hydroxyoxolan-3-yl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-propan-2-yl-N-(1,1,1-trifluoro-3-hydroxypropan-2-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(2S,3S)-2-hydroxy-4-methylpentan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 163696759
3-(4-acetamido-3-methylphenyl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(2,2-difluoropropoxy)-5-fluoro-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[2-(dimethylamino)-4-pyridinyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-2-methyl-3-pyridinyl]-N-[(3S,4S)-4-hydroxy-3-methyl-1,1-dioxothiolan-3-yl]-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide;3-(2-methyl-1,3-benzoxazol-4-yl)-N-(3-methyl-1,1-dioxothietan-3-yl)-1-propan-2-ylpyrazolo[4,3-b]pyridine-6-carboxamide
CID 163721805

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The IUPAC name of 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide (CID 163414065) is 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The canonical SMILES for 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)ncc23)c1.CC(F)Oc1cncc(-c2cn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cncc(-c2nn(C3CCOCC3)c3cc(C(=O)N[C@@]4(C)CCS(=O)(=O)C4)cnc23)c1.Cc1cc(C(=O)N[C@@]2(C)CCS(=O)(=O)C2)cc2c1c(-c1cccc(OC(C)F)c1)cn2C1CCOCC1.
What is the InChIKey of 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
The InChIKey is ACWXPKLKCFJMCD-DEWGIILYSA-N. The full InChI is InChI=1S/C28H33FN2O5S.2C26H30FN3O5S.C25H29FN4O5S.C24H28FN5O5S/c1-18-13-21(27(32)30-28(3)9-12-37(33,34)17-28)15-25-26(18)24(16-31(25)22-7-10-35-11-8-22)20-5-4-6-23(14-20)36-19(2)29;1-17(27)35-21-5-3-4-18(12-21)22-15-30(20-6-9-34-10-7-20)23-13-19(14-28-24(22)23)25(31)29-26(2)8-11-36(32,33)16-26;1-17(27)35-20-5-3-4-18(12-20)22-15-30(19-6-9-34-10-7-19)24-13-23(28-14-21(22)24)25(31)29-26(2)8-11-36(32,33)16-26;1-16(26)35-20-9-17(11-27-13-20)21-14-30(19-3-6-34-7-4-19)22-10-18(12-28-23(21)22)24(31)29-25(2)5-8-36(32,33)15-25;1-15(25)35-19-9-16(11-26-13-19)21-22-20(30(29-21)18-3-6-34-7-4-18)10-17(12-27-22)23(31)28-24(2)5-8-36(32,33)14-24/h4-6,13-16,19,22H,7-12,17H2,1-3H3,(H,30,32);3-5,12-15,17,20H,6-11,16H2,1-2H3,(H,29,31);3-5,12-15,17,19H,6-11,16H2,1-2H3,(H,29,31);9-14,16,19H,3-8,15H2,1-2H3,(H,29,31);9-13,15,18H,3-8,14H2,1-2H3,(H,28,31)/t19?,28-;2*17?,26-;16?,25-;15?,24-/m00000/s1.
What are the key properties of 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide?
3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide has a molecular weight of 2594.04 g/mol, XLogP of 19.38, 30 rotatable bonds, 5 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-c]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-4-methyl-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)indole-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[5-(1-fluoroethoxy)-3-pyridinyl]-N-[(3S)-3-methyl-1,1-dioxothiolan-3-yl]-1-(oxan-4-yl)pyrrolo[3,2-b]pyridine-6-carboxamide is sourced from PubChem (CID 163414065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).