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

C125H150F8N20O21S — CID 163422714

IUPAC3-[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
SMILESCC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C(C)(C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(CO)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOCC3C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C26H33FN4O4.C25H26F4N4O5S.2C25H31FN4O4.C24H29FN4O4/c1-16(2)31-21-14-19(24(32)29-26(25(4,5)33)9-11-34-12-10-26)15-28-23(21)22(30-31)18-7-6-8-20(13-18)35-17(3)27;1-14(26)38-17-5-3-4-15(8-17)21-22-20(33(32-21)19-6-7-37-11-18(19)25(27,28)29)9-16(10-30-22)23(34)31-24(2)12-39(35,36)13-24;2*1-15(2)30-21-13-19(24(32)28-25(16(3)31)8-10-33-11-9-25)14-27-23(21)22(29-30)18-6-5-7-20(12-18)34-17(4)26;1-15(2)29-20-12-18(23(31)27-24(14-30)7-9-32-10-8-24)13-26-22(20)21(28-29)17-5-4-6-19(11-17)33-16(3)25/h6-8,13-17,33H,9-12H2,1-5H3,(H,29,32);3-5,8-10,14,18-19H,6-7,11-13H2,1-2H3,(H,31,34);2*5-7,12-17,31H,8-11H2,1-4H3,(H,28,32);4-6,11-13,15-16,30H,7-10,14H2,1-3H3,(H,27,31)/t;;2*16-,17?;/m..10./s1
InChIKeyAJUWEDPUJPCARY-LVCGGMBFSA-N
MW2452.74 g/mol
LogP19.98
Rot. Bonds34

About 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

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 (PubChem CID 163422714) has the molecular formula C125H150F8N20O21S and a molecular weight of 2452.74 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID163422714
Molecular FormulaC125H150F8N20O21S
Molecular Weight2452.74 g/mol
Exact Mass2451.09
IUPAC Name3-[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
SMILESCC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C(C)(C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(CO)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOCC3C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1
InChIInChI=1S/C26H33FN4O4.C25H26F4N4O5S.2C25H31FN4O4.C24H29FN4O4/c1-16(2)31-21-14-19(24(32)29-26(25(4,5)33)9-11-34-12-10-26)15-28-23(21)22(30-31)18-7-6-8-20(13-18)35-17(3)27;1-14(26)38-17-5-3-4-15(8-17)21-22-20(33(32-21)19-6-7-37-11-18(19)25(27,28)29)9-16(10-30-22)23(34)31-24(2)12-39(35,36)13-24;2*1-15(2)30-21-13-19(24(32)28-25(16(3)31)8-10-33-11-9-25)14-27-23(21)22(29-30)18-6-5-7-20(12-18)34-17(4)26;1-15(2)29-20-12-18(23(31)27-24(14-30)7-9-32-10-8-24)13-26-22(20)21(28-29)17-5-4-6-19(11-17)33-16(3)25/h6-8,13-17,33H,9-12H2,1-5H3,(H,29,32);3-5,8-10,14,18-19H,6-7,11-13H2,1-2H3,(H,31,34);2*5-7,12-17,31H,8-11H2,1-4H3,(H,28,32);4-6,11-13,15-16,30H,7-10,14H2,1-3H3,(H,27,31)/t;;2*16-,17?;/m..10./s1
InChIKeyAJUWEDPUJPCARY-LVCGGMBFSA-N
XLogP19.98
TPSA506.41 Ų
H-Bond Donors9
H-Bond Acceptors36
Rotatable Bonds34
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002452.74
LogP ≤ 519.98
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1036

Analyze 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 with MolForge

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Related Compounds

US11787810, Example 78d
CID 162359027
US11787810, Example 53a
CID 162359066
US11787810, Example 78c
CID 162359070
US11787810, Example 78b
CID 162359376
US11787810, Example 78a
CID 162358979
US20240059700, Example 78c
CID 162359196
US20240059700, Example 78a
CID 171362929
US20240059700, Example 78b
CID 171362930
6-[1-(2,2-difluoroethyl)pyrazol-4-yl]-2-(5,6-dimethoxy-3-pyridinyl)-4,7-dimethyl-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7R)-4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;4,7,7-trimethyl-2-(5-propan-2-yloxy-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 157295100
2-[5-(2,2-difluoroethoxy)-6-methyl-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N,N-dimethyl-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide;2-(5-ethoxy-6-methyl-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7S)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;(7R)-2-(5-ethoxy-3-pyridinyl)-7-methoxy-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;2-[5-(methoxymethyl)-3-pyridinyl]-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one;N-(oxetan-3-yl)-5-[4,7,7-trimethyl-5-oxo-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-2-yl]pyridine-3-carboxamide
CID 158050270
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-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;(7S)-2-[5-(difluoromethoxy)-3-pyridinyl]-4,7-dimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5,6-dimethoxy-3-pyridinyl)-7-hydroxy-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;4,7-dimethyl-2-(5-methylsulfonyl-3-pyridinyl)-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;7-methoxy-2-(5-methoxy-3-pyridinyl)-4-methyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-7H-pyrrolo[3,4-b]pyridin-5-one;2-(5-methoxy-3-pyridinyl)-4,7,7-trimethyl-6-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolo[3,4-b]pyridin-5-one
CID 158151156

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(C(C)(C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4(CO)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C(C)C)c3cc(C(=O)NC4([C@H](C)O)CCOCC4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C3CCOCC3C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.
What is the InChIKey of 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?
The InChIKey is AJUWEDPUJPCARY-LVCGGMBFSA-N. The full InChI is InChI=1S/C26H33FN4O4.C25H26F4N4O5S.2C25H31FN4O4.C24H29FN4O4/c1-16(2)31-21-14-19(24(32)29-26(25(4,5)33)9-11-34-12-10-26)15-28-23(21)22(30-31)18-7-6-8-20(13-18)35-17(3)27;1-14(26)38-17-5-3-4-15(8-17)21-22-20(33(32-21)19-6-7-37-11-18(19)25(27,28)29)9-16(10-30-22)23(34)31-24(2)12-39(35,36)13-24;2*1-15(2)30-21-13-19(24(32)28-25(16(3)31)8-10-33-11-9-25)14-27-23(21)22(29-30)18-6-5-7-20(12-18)34-17(4)26;1-15(2)29-20-12-18(23(31)27-24(14-30)7-9-32-10-8-24)13-26-22(20)21(28-29)17-5-4-6-19(11-17)33-16(3)25/h6-8,13-17,33H,9-12H2,1-5H3,(H,29,32);3-5,8-10,14,18-19H,6-7,11-13H2,1-2H3,(H,31,34);2*5-7,12-17,31H,8-11H2,1-4H3,(H,28,32);4-6,11-13,15-16,30H,7-10,14H2,1-3H3,(H,27,31)/t;;2*16-,17?;/m..10./s1.
What are the key properties of 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?
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 has a molecular weight of 2452.74 g/mol, XLogP of 19.98, 34 rotatable bonds, 9 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 163422714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).