1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide

C111H121F11N20O24S5 — CID 163863630

IUPAC1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(F)Oc1cccc(-c2nn(C[C@@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC[C@H](C)n1nc(-c2cccc(OC(C)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C23H27FN4O4S.2C22H22F4N4O5S.2C22H25FN4O5S/c1-5-14(2)28-19-10-17(22(29)26-23(4)12-33(30,31)13-23)11-25-21(19)20(27-28)16-7-6-8-18(9-16)32-15(3)24;2*1-12(23)35-15-5-3-4-13(6-15)18-19-16(30(29-18)9-17(31)22(24,25)26)7-14(8-27-19)20(32)28-21(2)10-36(33,34)11-21;2*1-13(28)10-27-18-8-16(21(29)25-22(3)11-33(30,31)12-22)9-24-20(18)19(26-27)15-5-4-6-17(7-15)32-14(2)23/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,29);2*3-8,12,17,31H,9-11H2,1-2H3,(H,28,32);2*4-9,13-14,28H,10-12H2,1-3H3,(H,25,29)/t14-,15?;2*12?,17-;2*13-,14?/m01010/s1
InChIKeyPESNACBLRHUCGS-XVJJGAHRSA-N
MW2488.62 g/mol
LogP13.13
Rot. Bonds35

About 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide

1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide (PubChem CID 163863630) has the molecular formula C111H121F11N20O24S5 and a molecular weight of 2488.62 g/mol. Its IUPAC name is 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide
PubChem CID163863630
Molecular FormulaC111H121F11N20O24S5
Molecular Weight2488.62 g/mol
Exact Mass2486.73
IUPAC Name1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide
SMILESCC(F)Oc1cccc(-c2nn(C[C@@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC[C@H](C)n1nc(-c2cccc(OC(C)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21
InChIInChI=1S/C23H27FN4O4S.2C22H22F4N4O5S.2C22H25FN4O5S/c1-5-14(2)28-19-10-17(22(29)26-23(4)12-33(30,31)13-23)11-25-21(19)20(27-28)16-7-6-8-18(9-16)32-15(3)24;2*1-12(23)35-15-5-3-4-13(6-15)18-19-16(30(29-18)9-17(31)22(24,25)26)7-14(8-27-19)20(32)28-21(2)10-36(33,34)11-21;2*1-13(28)10-27-18-8-16(21(29)25-22(3)11-33(30,31)12-22)9-24-20(18)19(26-27)15-5-4-6-17(7-15)32-14(2)23/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,29);2*3-8,12,17,31H,9-11H2,1-2H3,(H,28,32);2*4-9,13-14,28H,10-12H2,1-3H3,(H,25,29)/t14-,15?;2*12?,17-;2*13-,14?/m01010/s1
InChIKeyPESNACBLRHUCGS-XVJJGAHRSA-N
XLogP13.13
TPSA596.82 Ų
H-Bond Donors9
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002488.62
LogP ≤ 513.13
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1039

Analyze 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide with MolForge

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Related Compounds

US11787810, Example 67a
CID 162358922
US11787810, Example 78d
CID 162359027
US11787810, Example 78c
CID 162359070
US11787810, Example 68b
CID 162359189
US11787810, Example 68a
CID 162359235
US11787810, Example 67b
CID 162359253
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

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The IUPAC name of 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide (CID 163863630) is 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide.
What is the SMILES notation for 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The canonical SMILES for 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide is CC(F)Oc1cccc(-c2nn(C[C@@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](C)O)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC(F)Oc1cccc(-c2nn(C[C@H](O)C(F)(F)F)c3cc(C(=O)NC4(C)CS(=O)(=O)C4)cnc23)c1.CC[C@H](C)n1nc(-c2cccc(OC(C)F)c2)c2ncc(C(=O)NC3(C)CS(=O)(=O)C3)cc21.
What is the InChIKey of 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
The InChIKey is PESNACBLRHUCGS-XVJJGAHRSA-N. The full InChI is InChI=1S/C23H27FN4O4S.2C22H22F4N4O5S.2C22H25FN4O5S/c1-5-14(2)28-19-10-17(22(29)26-23(4)12-33(30,31)13-23)11-25-21(19)20(27-28)16-7-6-8-18(9-16)32-15(3)24;2*1-12(23)35-15-5-3-4-13(6-15)18-19-16(30(29-18)9-17(31)22(24,25)26)7-14(8-27-19)20(32)28-21(2)10-36(33,34)11-21;2*1-13(28)10-27-18-8-16(21(29)25-22(3)11-33(30,31)12-22)9-24-20(18)19(26-27)15-5-4-6-17(7-15)32-14(2)23/h6-11,14-15H,5,12-13H2,1-4H3,(H,26,29);2*3-8,12,17,31H,9-11H2,1-2H3,(H,28,32);2*4-9,13-14,28H,10-12H2,1-3H3,(H,25,29)/t14-,15?;2*12?,17-;2*13-,14?/m01010/s1.
What are the key properties of 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide?
1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide has a molecular weight of 2488.62 g/mol, XLogP of 13.13, 35 rotatable bonds, 9 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-butan-2-yl]-3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2S)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-1-[(2R)-2-hydroxypropyl]-N-(3-methyl-1,1-dioxothietan-3-yl)pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide;3-[3-(1-fluoroethoxy)phenyl]-N-(3-methyl-1,1-dioxothietan-3-yl)-1-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]pyrazolo[4,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 163863630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).