1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea

C126H147F6N35O9 — CID 159977763

IUPAC1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea
SMILESCCc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)NCCO)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1.CN(C)C(=O)NC1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C34H43N9O3.C33H41N9O2.C32H36F3N9O2.C27H27F3N8O2/c1-4-22-19-26(10-7-24(22)21-43-16-14-41(2)15-17-43)38-33(46)37-25-8-5-23(6-9-25)27-20-28(34(11-12-34)32(45)36-13-18-44)39-31-29(27)30(35)40-42(31)3;1-21-18-25(11-8-23(21)20-42-16-14-40(4)15-17-42)36-32(44)35-24-9-6-22(7-10-24)26-19-27(33(12-13-33)31(43)39(2)3)37-30-28(26)29(34)38-41(30)5;1-37-29(45)31(10-11-31)25-17-23(26-27(36)41-43(3)28(26)40-25)19-4-7-21(8-5-19)38-30(46)39-22-9-6-20(24(16-22)32(33,34)35)18-44-14-12-42(2)13-15-44;1-37(2)25(40)35-26(11-12-26)20-14-19(21-22(31)36-38(3)23(21)34-20)15-7-9-17(10-8-15)32-24(39)33-18-6-4-5-16(13-18)27(28,29)30/h5-10,19-20,44H,4,11-18,21H2,1-3H3,(H2,35,40)(H,36,45)(H2,37,38,46);6-11,18-19H,12-17,20H2,1-5H3,(H2,34,38)(H2,35,36,44);4-9,16-17H,10-15,18H2,1-3H3,(H2,36,41)(H,37,45)(H2,38,39,46);4-10,13-14H,11-12H2,1-3H3,(H2,31,36)(H,35,40)(H2,32,33,39)
InChIKeyOFJIWVPCNINCIJ-UHFFFAOYSA-N
MW2409.79 g/mol
LogP16.89
Rot. Bonds29

About 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea

1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea (PubChem CID 159977763) has the molecular formula C126H147F6N35O9 and a molecular weight of 2409.79 g/mol. Its IUPAC name is 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea.

Molecular Properties

Compound Name1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea
PubChem CID159977763
Molecular FormulaC126H147F6N35O9
Molecular Weight2409.79 g/mol
Exact Mass2408.20
IUPAC Name1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea
SMILESCCc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)NCCO)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1.CN(C)C(=O)NC1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1
InChIInChI=1S/C34H43N9O3.C33H41N9O2.C32H36F3N9O2.C27H27F3N8O2/c1-4-22-19-26(10-7-24(22)21-43-16-14-41(2)15-17-43)38-33(46)37-25-8-5-23(6-9-25)27-20-28(34(11-12-34)32(45)36-13-18-44)39-31-29(27)30(35)40-42(31)3;1-21-18-25(11-8-23(21)20-42-16-14-40(4)15-17-42)36-32(44)35-24-9-6-22(7-10-24)26-19-27(33(12-13-33)31(43)39(2)3)37-30-28(26)29(34)38-41(30)5;1-37-29(45)31(10-11-31)25-17-23(26-27(36)41-43(3)28(26)40-25)19-4-7-21(8-5-19)38-30(46)39-22-9-6-20(24(16-22)32(33,34)35)18-44-14-12-42(2)13-15-44;1-37(2)25(40)35-26(11-12-26)20-14-19(21-22(31)36-38(3)23(21)34-20)15-7-9-17(10-8-15)32-24(39)33-18-6-4-5-16(13-18)27(28,29)30/h5-10,19-20,44H,4,11-18,21H2,1-3H3,(H2,35,40)(H,36,45)(H2,37,38,46);6-11,18-19H,12-17,20H2,1-5H3,(H2,34,38)(H2,35,36,44);4-9,16-17H,10-15,18H2,1-3H3,(H2,36,41)(H,37,45)(H2,38,39,46);4-10,13-14H,11-12H2,1-3H3,(H2,31,36)(H,35,40)(H2,32,33,39)
InChIKeyOFJIWVPCNINCIJ-UHFFFAOYSA-N
XLogP16.89
TPSA541.96 Ų
H-Bond Donors16
H-Bond Acceptors31
Rotatable Bonds29
Heavy Atoms176
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002409.79
LogP ≤ 516.89
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1031

Analyze 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea with MolForge

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Related Compounds

1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-ethylcyclopropane-1-carboxamide
CID 24889102
1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-di(propan-2-yl)cyclopropane-1-carboxamide
CID 24889777
1-[4-[3-amino-6-[1-(dimethylamino)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-6-[1-(methanesulfonamido)cyclopropyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;1-[4-[3-amino-1-methyl-6-[1-(methylamino)cyclopropyl]pyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;N-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]acetamide
CID 158929957
1-[3-amino-4-[4-[(2-fluoro-5-methylphenyl)carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide
CID 24889618
N-[1-[1-methyl-3-(methylideneamino)-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]acetamide
CID 147745111
acetic acid;1-[4-[3-amino-6-[(1S)-2,2-dimethylcyclobutyl]-1-methylpyrazolo[5,4-b]pyridin-4-yl]phenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 143593578
methyl 2-[3-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-2,2-dimethylcyclobutyl]acetate
CID 24889949
2-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-cyclopropyl-2-methylpropanamide
CID 59592736
1-[4-[1-(2-amino-3-pyridinyl)-3-methylpyrazol-4-yl]phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 164776648
N-[4-(3-amino-6-tert-butyl-1-methylpyrazolo[5,4-b]pyridin-4-yl)phenyl]-1-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 59463693
1-[4-(3-amino-6-tert-butyl-2H-pyrazolo[3,4-b]pyridin-4-yl)phenyl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 59592733
1-[5-[4-(6-amino-3-pyridinyl)phenyl]-1H-pyrazol-3-yl]-3-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]urea
CID 130386652

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea?
The IUPAC name of 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea (CID 159977763) is 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea.
What is the SMILES notation for 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea?
The canonical SMILES for 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea is CCc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)NCCO)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1.CN(C)C(=O)NC1(c2cc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.CNC(=O)C1(c2cc(-c3ccc(NC(=O)Nc4ccc(CN5CCN(C)CC5)c(C(F)(F)F)c4)cc3)c3c(N)nn(C)c3n2)CC1.Cc1cc(NC(=O)Nc2ccc(-c3cc(C4(C(=O)N(C)C)CC4)nc4c3c(N)nn4C)cc2)ccc1CN1CCN(C)CC1.
What is the InChIKey of 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea?
The InChIKey is OFJIWVPCNINCIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N9O3.C33H41N9O2.C32H36F3N9O2.C27H27F3N8O2/c1-4-22-19-26(10-7-24(22)21-43-16-14-41(2)15-17-43)38-33(46)37-25-8-5-23(6-9-25)27-20-28(34(11-12-34)32(45)36-13-18-44)39-31-29(27)30(35)40-42(31)3;1-21-18-25(11-8-23(21)20-42-16-14-40(4)15-17-42)36-32(44)35-24-9-6-22(7-10-24)26-19-27(33(12-13-33)31(43)39(2)3)37-30-28(26)29(34)38-41(30)5;1-37-29(45)31(10-11-31)25-17-23(26-27(36)41-43(3)28(26)40-25)19-4-7-21(8-5-19)38-30(46)39-22-9-6-20(24(16-22)32(33,34)35)18-44-14-12-42(2)13-15-44;1-37(2)25(40)35-26(11-12-26)20-14-19(21-22(31)36-38(3)23(21)34-20)15-7-9-17(10-8-15)32-24(39)33-18-6-4-5-16(13-18)27(28,29)30/h5-10,19-20,44H,4,11-18,21H2,1-3H3,(H2,35,40)(H,36,45)(H2,37,38,46);6-11,18-19H,12-17,20H2,1-5H3,(H2,34,38)(H2,35,36,44);4-9,16-17H,10-15,18H2,1-3H3,(H2,36,41)(H,37,45)(H2,38,39,46);4-10,13-14H,11-12H2,1-3H3,(H2,31,36)(H,35,40)(H2,32,33,39).
What are the key properties of 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea?
1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea has a molecular weight of 2409.79 g/mol, XLogP of 16.89, 29 rotatable bonds, 16 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-amino-4-[4-[[3-ethyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]-1-methylpyrazolo[5,4-b]pyridin-6-yl]-N-(2-hydroxyethyl)cyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N,N-dimethylcyclopropane-1-carboxamide;1-[3-amino-1-methyl-4-[4-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]-N-methylcyclopropane-1-carboxamide;3-[1-[3-amino-1-methyl-4-[4-[[3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]pyrazolo[5,4-b]pyridin-6-yl]cyclopropyl]-1,1-dimethylurea is sourced from PubChem (CID 159977763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).