tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

C69H82F2N10O11 — CID 157065246

IUPACtert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C30H36FN5O5.C25H28FN5O3.C14H18O3/c1-29(2,3)41-28(39)36-23-12-13-25(33-22(23)17-32-36)34-26(37)24-16-20(31)18-35(24)27(38)30(14-6-5-7-15-30)19-8-10-21(40-4)11-9-19;1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h8-13,17,20,24H,5-7,14-16,18H2,1-4H3,(H,33,34,37);5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32);5-8H,2-4,9-10H2,1H3,(H,15,16)/t20-,24-;17-,21-;/m11./s1
InChIKeyABULNHRIYGTPPC-IGMAFVMPSA-N
MW1265.47 g/mol
LogP11.73
Rot. Bonds13

About tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid

tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (PubChem CID 157065246) has the molecular formula C69H82F2N10O11 and a molecular weight of 1265.47 g/mol. Its IUPAC name is tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Nametert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
PubChem CID157065246
Molecular FormulaC69H82F2N10O11
Molecular Weight1265.47 g/mol
Exact Mass1264.61
IUPAC Nametert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
SMILESCOc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1
InChIInChI=1S/C30H36FN5O5.C25H28FN5O3.C14H18O3/c1-29(2,3)41-28(39)36-23-12-13-25(33-22(23)17-32-36)34-26(37)24-16-20(31)18-35(24)27(38)30(14-6-5-7-15-30)19-8-10-21(40-4)11-9-19;1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h8-13,17,20,24H,5-7,14-16,18H2,1-4H3,(H,33,34,37);5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32);5-8H,2-4,9-10H2,1H3,(H,15,16)/t20-,24-;17-,21-;/m11./s1
InChIKeyABULNHRIYGTPPC-IGMAFVMPSA-N
XLogP11.73
TPSA262.39 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds13
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001265.47
LogP ≤ 511.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

Analyze tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

(2R)-1-[1-(4-methoxyphenyl)cyclobutanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 168299729
(2~{R},4~{R})-4-fluoranyl-1-[1-(4-methoxyphenyl)cyclohexyl]carbonyl-~{N}-(1~{H}-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504056
Ep300/CREBBP-IN-8
CID 142503978
(2R,4R)-4-fluoro-1-[1-(4-hydroxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142503983
(2R,4R)-1-[4,4-difluoro-1-(4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142503996
(2R,4R)-4-fluoro-1-[2-(4-methoxyphenyl)-2-methylpropanoyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504016
Ep300/CREBBP-IN-4
CID 142504195
(2R,4R)-4-fluoro-1-[4-(4-methoxyphenyl)oxane-4-carbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504245
(2R,4R)-4-fluoro-1-[1-(6-methoxy-3-pyridinyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 142504274
(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)-3,3-dimethylcyclobutanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 146500378
(2R,4R)-1-[1-(3,5-difluoro-4-methoxyphenyl)-4,4-difluorocyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,3-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 146500463
(2R,4R)-1-[4,4-difluoro-1-(3-fluoro-4-methoxyphenyl)cyclohexanecarbonyl]-4-fluoro-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide
CID 172453941

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The IUPAC name of tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid (CID 157065246) is tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4[nH]ncc4n3)CCCCC2)cc1.COc1ccc(C2(C(=O)N3C[C@H](F)C[C@@H]3C(=O)Nc3ccc4c(cnn4C(=O)OC(C)(C)C)n3)CCCCC2)cc1.COc1ccc(C2(C(=O)O)CCCCC2)cc1.
What is the InChIKey of tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
The InChIKey is ABULNHRIYGTPPC-IGMAFVMPSA-N. The full InChI is InChI=1S/C30H36FN5O5.C25H28FN5O3.C14H18O3/c1-29(2,3)41-28(39)36-23-12-13-25(33-22(23)17-32-36)34-26(37)24-16-20(31)18-35(24)27(38)30(14-6-5-7-15-30)19-8-10-21(40-4)11-9-19;1-34-18-7-5-16(6-8-18)25(11-3-2-4-12-25)24(33)31-15-17(26)13-21(31)23(32)29-22-10-9-19-20(28-22)14-27-30-19;1-17-12-7-5-11(6-8-12)14(13(15)16)9-3-2-4-10-14/h8-13,17,20,24H,5-7,14-16,18H2,1-4H3,(H,33,34,37);5-10,14,17,21H,2-4,11-13,15H2,1H3,(H,27,30)(H,28,29,32);5-8H,2-4,9-10H2,1H3,(H,15,16)/t20-,24-;17-,21-;/m11./s1.
What are the key properties of tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid?
tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid has a molecular weight of 1265.47 g/mol, XLogP of 11.73, 13 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-[[(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]pyrrolidine-2-carbonyl]amino]pyrazolo[4,5-b]pyridine-1-carboxylate;(2R,4R)-4-fluoro-1-[1-(4-methoxyphenyl)cyclohexanecarbonyl]-N-(1H-pyrazolo[4,5-b]pyridin-5-yl)pyrrolidine-2-carboxamide;1-(4-methoxyphenyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 157065246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).