N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

C108H105F12N25O8 — CID 158271922

IUPACN-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCOCC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)NC4CC4)CC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCNCC3)nc21.O=C(Nc1ccc(-c2cc(CN3CCOCC3)nc3c2cnn3CCO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H25F3N6O2.C27H27F3N6O3.C27H27F3N6O2.C26H26F3N7O/c1-37-24-22(15-32-37)21(14-23(36-24)27(11-12-27)25(38)33-18-9-10-18)16-5-7-19(8-6-16)34-26(39)35-20-4-2-3-17(13-20)28(29,30)31;28-27(29,30)19-2-1-3-21(14-19)34-26(38)33-20-6-4-18(5-7-20)23-15-22(17-35-9-12-39-13-10-35)32-25-24(23)16-31-36(25)8-11-37;1-2-36-25-24(16-31-36)23(15-22(32-25)17-35-10-12-38-13-11-35)18-6-8-20(9-7-18)33-26(37)34-21-5-3-4-19(14-21)27(28,29)30;1-35-24-23(15-31-35)22(14-21(32-24)16-36-11-9-30-10-12-36)17-5-7-19(8-6-17)33-25(37)34-20-4-2-3-18(13-20)26(27,28)29/h2-8,13-15,18H,9-12H2,1H3,(H,33,38)(H2,34,35,39);1-7,14-16,37H,8-13,17H2,(H2,33,34,38);3-9,14-16H,2,10-13,17H2,1H3,(H2,33,34,37);2-8,13-15,30H,9-12,16H2,1H3,(H2,33,34,37)
InChIKeyGJDHHHSDDKCIKR-UHFFFAOYSA-N
MW2109.17 g/mol
LogP20.51
Rot. Bonds24

About N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea

N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 158271922) has the molecular formula C108H105F12N25O8 and a molecular weight of 2109.17 g/mol. Its IUPAC name is N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound NameN-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID158271922
Molecular FormulaC108H105F12N25O8
Molecular Weight2109.17 g/mol
Exact Mass2107.84
IUPAC NameN-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCOCC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)NC4CC4)CC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCNCC3)nc21.O=C(Nc1ccc(-c2cc(CN3CCOCC3)nc3c2cnn3CCO)cc1)Nc1cccc(C(F)(F)F)c1
InChIInChI=1S/C28H25F3N6O2.C27H27F3N6O3.C27H27F3N6O2.C26H26F3N7O/c1-37-24-22(15-32-37)21(14-23(36-24)27(11-12-27)25(38)33-18-9-10-18)16-5-7-19(8-6-16)34-26(39)35-20-4-2-3-17(13-20)28(29,30)31;28-27(29,30)19-2-1-3-21(14-19)34-26(38)33-20-6-4-18(5-7-20)23-15-22(17-35-9-12-39-13-10-35)32-25-24(23)16-31-36(25)8-11-37;1-2-36-25-24(16-31-36)23(15-22(32-25)17-35-10-12-38-13-11-35)18-6-8-20(9-7-18)33-26(37)34-21-5-3-4-19(14-21)27(28,29)30;1-35-24-23(15-31-35)22(14-21(32-24)16-36-11-9-30-10-12-36)17-5-7-19(8-6-17)33-25(37)34-20-4-2-3-18(13-20)26(27,28)29/h2-8,13-15,18H,9-12H2,1H3,(H,33,38)(H2,34,35,39);1-7,14-16,37H,8-13,17H2,(H2,33,34,38);3-9,14-16H,2,10-13,17H2,1H3,(H2,33,34,37);2-8,13-15,30H,9-12,16H2,1H3,(H2,33,34,37)
InChIKeyGJDHHHSDDKCIKR-UHFFFAOYSA-N
XLogP20.51
TPSA376.90 Ų
H-Bond Donors11
H-Bond Acceptors24
Rotatable Bonds24
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002109.17
LogP ≤ 520.51
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1024

Analyze N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Related Compounds

1-Methyl-3-[4-[4-morpholin-4-yl-1-[1-[3-(trifluoromethyl)benzoyl]piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]urea;1-[4-[4-morpholin-4-yl-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]pyrazolo[5,4-d]pyrimidin-6-yl]phenyl]-3-phenylurea
CID 87606159
1-[2-[[6-[Bis(cyclopropylmethyl)amino]-1-tert-butyl-3-methylpyrazolo[5,4-b]pyridin-5-yl]methyl-[[3,5-bis(trifluoromethyl)phenyl]methyl]amino]pyrimidin-5-yl]-3-[2-[[[5-[[[3,5-bis(trifluoromethyl)phenyl]methyl-(5-morpholin-4-ylpyrimidin-2-yl)amino]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridin-6-yl]-(cyclopropylmethyl)amino]methyl]cyclopropyl]pyrrolidin-2-one
CID 126693138
1,3-dimethyl-5-[6-(4-methylpiperazin-1-yl)-4-propan-2-yl-2-pyridinyl]indazole;1,3-dimethyl-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-5-propan-2-ylindazole;1-methyl-3-(4-methylpiperazin-1-yl)-6-propan-2-ylindazole;1-methyl-5-propan-2-yl-3-pyridin-3-ylpyrrolo[2,3-b]pyridine;7-propan-2-yl-3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;N,N,1-trimethyl-5-propan-2-ylindazol-3-amine;1,3,3-trimethyl-5-propan-2-ylindol-2-one
CID 157259556
1-[1-ethyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[(1-methylpiperidin-4-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1-methylpyrazolo[3,4-b]pyridin-4-yl)phenyl]urea;1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]-1H-pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide
CID 157309265
(3E)-3-[[7-(cyclopropylamino)-5-[4-(dimethylamino)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-[3-(morpholin-4-ylmethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157399172
1-[4-(3-Amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(diethylaminomethyl)-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[2-(morpholin-4-ylmethyl)-5-(trifluoromethyl)phenyl]urea
CID 157479096
CID 157602215
CID 157602215
CID 157662133
CID 157662133
1-[4-(3-Amino-6-cyclopropyl-1-ethylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-6-cyclopropyl-1-(2-hydroxyethyl)pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-prop-2-enylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-(3-amino-6-cyclopropyl-1-propylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157877782
1-[4-[3-Amino-6-(1-aminocyclopropyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-6-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-6-[1-(methoxymethyl)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-1-methyl-6-[1-(morpholin-4-ylmethyl)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 157887540
1-[4-[7-(dimethylamino)-1-methylpyrazolo[5,4-c]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[4-[1-(2-hydroxyethyl)pyrazolo[5,4-c]pyridin-4-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;N-[4-(1H-pyrazolo[5,4-c]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 157911359
8-(dimethylamino)-3-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-[2-[2-hydroxyethyl(methyl)amino]pyrimidin-5-yl]-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;8-(dimethylamino)-3-(2-indazol-1-ylpyrimidin-5-yl)-8-phenyl-1,3-diazaspiro[4.5]decan-2-one;3-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]benzamide;5-[8-(dimethylamino)-2-oxo-8-phenyl-1,3-diazaspiro[4.5]decan-3-yl]-N-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]pyrimidine-2-carboxamide
CID 158085835

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 158271922) is N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is CCn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCOCC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(C3(C(=O)NC4CC4)CC3)nc21.Cn1ncc2c(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)cc(CN3CCNCC3)nc21.O=C(Nc1ccc(-c2cc(CN3CCOCC3)nc3c2cnn3CCO)cc1)Nc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is GJDHHHSDDKCIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F3N6O2.C27H27F3N6O3.C27H27F3N6O2.C26H26F3N7O/c1-37-24-22(15-32-37)21(14-23(36-24)27(11-12-27)25(38)33-18-9-10-18)16-5-7-19(8-6-16)34-26(39)35-20-4-2-3-17(13-20)28(29,30)31;28-27(29,30)19-2-1-3-21(14-19)34-26(38)33-20-6-4-18(5-7-20)23-15-22(17-35-9-12-39-13-10-35)32-25-24(23)16-31-36(25)8-11-37;1-2-36-25-24(16-31-36)23(15-22(32-25)17-35-10-12-38-13-11-35)18-6-8-20(9-7-18)33-26(37)34-21-5-3-4-19(14-21)27(28,29)30;1-35-24-23(15-31-35)22(14-21(32-24)16-36-11-9-30-10-12-36)17-5-7-19(8-6-17)33-25(37)34-20-4-2-3-18(13-20)26(27,28)29/h2-8,13-15,18H,9-12H2,1H3,(H,33,38)(H2,34,35,39);1-7,14-16,37H,8-13,17H2,(H2,33,34,38);3-9,14-16H,2,10-13,17H2,1H3,(H2,33,34,37);2-8,13-15,30H,9-12,16H2,1H3,(H2,33,34,37).
What are the key properties of N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea?
N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 2109.17 g/mol, XLogP of 20.51, 24 rotatable bonds, 11 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropane-1-carboxamide;1-[4-[1-ethyl-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-(2-hydroxyethyl)-6-(morpholin-4-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[1-methyl-6-(piperazin-1-ylmethyl)pyrazolo[3,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 158271922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).