N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide

C123H135Cl4F6N27O12 — CID 158816784

IUPACN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5Cl)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C32H34ClF3N6O3.C31H34Cl2N6O3.C31H33ClF3N7O3.C29H34N8O3/c1-42-12-8-19(9-13-42)20-2-4-24(27(17-20)37-23-10-14-44-15-11-23)31(43)39-30-29-26(40-41-30)6-7-28(38-29)45-18-21-16-22(33)3-5-25(21)32(34,35)36;1-39-12-8-19(9-13-39)20-2-4-24(27(17-20)34-23-10-14-41-15-11-23)31(40)36-30-29-26(37-38-30)6-7-28(35-29)42-18-21-16-22(32)3-5-25(21)33;1-41-10-12-42(13-11-41)22-3-4-23(26(17-22)36-21-8-14-44-15-9-21)30(43)38-29-28-25(39-40-29)6-7-27(37-28)45-18-19-16-20(32)2-5-24(19)31(33,34)35;1-36-11-13-37(14-12-36)22-4-5-23(25(17-22)31-21-8-15-39-16-9-21)29(38)33-28-27-24(34-35-28)6-7-26(32-27)40-19-20-3-2-10-30-18-20/h2-7,16-17,19,23,37H,8-15,18H2,1H3,(H2,39,40,41,43);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,36H,8-15,18H2,1H3,(H2,38,39,40,43);2-7,10,17-18,21,31H,8-9,11-16,19H2,1H3,(H2,33,34,35,38)
InChIKeyIVJGRAILEUAZHS-UHFFFAOYSA-N
MW2439.41 g/mol
LogP22.69
Rot. Bonds32

About N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide (PubChem CID 158816784) has the molecular formula C123H135Cl4F6N27O12 and a molecular weight of 2439.41 g/mol. Its IUPAC name is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
PubChem CID158816784
Molecular FormulaC123H135Cl4F6N27O12
Molecular Weight2439.41 g/mol
Exact Mass2435.94
IUPAC NameN-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5Cl)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C32H34ClF3N6O3.C31H34Cl2N6O3.C31H33ClF3N7O3.C29H34N8O3/c1-42-12-8-19(9-13-42)20-2-4-24(27(17-20)37-23-10-14-44-15-11-23)31(43)39-30-29-26(40-41-30)6-7-28(38-29)45-18-21-16-22(33)3-5-25(21)32(34,35)36;1-39-12-8-19(9-13-39)20-2-4-24(27(17-20)34-23-10-14-41-15-11-23)31(40)36-30-29-26(37-38-30)6-7-28(35-29)42-18-21-16-22(32)3-5-25(21)33;1-41-10-12-42(13-11-41)22-3-4-23(26(17-22)36-21-8-14-44-15-9-21)30(43)38-29-28-25(39-40-29)6-7-27(37-28)45-18-19-16-20(32)2-5-24(19)31(33,34)35;1-36-11-13-37(14-12-36)22-4-5-23(25(17-22)31-21-8-15-39-16-9-21)29(38)33-28-27-24(34-35-28)6-7-26(32-27)40-19-20-3-2-10-30-18-20/h2-7,16-17,19,23,37H,8-15,18H2,1H3,(H2,39,40,41,43);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,36H,8-15,18H2,1H3,(H2,38,39,40,43);2-7,10,17-18,21,31H,8-9,11-16,19H2,1H3,(H2,33,34,35,38)
InChIKeyIVJGRAILEUAZHS-UHFFFAOYSA-N
XLogP22.69
TPSA436.97 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002439.41
LogP ≤ 522.69
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide with MolForge

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Related Compounds

N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 68349763
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 68349783
N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465639
N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465789
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465808
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465860
N-[5-[[5-chloro-2-(difluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 123361154
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 160250284
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide;4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 161234331
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 161381836
N-[5-[(2,5-dichlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 158516655
N-[5-[(2,5-dichlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 159382178

Frequently Asked Questions

What is the IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide (CID 158816784) is N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5Cl)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(Cl)ccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.
What is the InChIKey of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The InChIKey is IVJGRAILEUAZHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF3N6O3.C31H34Cl2N6O3.C31H33ClF3N7O3.C29H34N8O3/c1-42-12-8-19(9-13-42)20-2-4-24(27(17-20)37-23-10-14-44-15-11-23)31(43)39-30-29-26(40-41-30)6-7-28(38-29)45-18-21-16-22(33)3-5-25(21)32(34,35)36;1-39-12-8-19(9-13-39)20-2-4-24(27(17-20)34-23-10-14-41-15-11-23)31(40)36-30-29-26(37-38-30)6-7-28(35-29)42-18-21-16-22(32)3-5-25(21)33;1-41-10-12-42(13-11-41)22-3-4-23(26(17-22)36-21-8-14-44-15-9-21)30(43)38-29-28-25(39-40-29)6-7-27(37-28)45-18-19-16-20(32)2-5-24(19)31(33,34)35;1-36-11-13-37(14-12-36)22-4-5-23(25(17-22)31-21-8-15-39-16-9-21)29(38)33-28-27-24(34-35-28)6-7-26(32-27)40-19-20-3-2-10-30-18-20/h2-7,16-17,19,23,37H,8-15,18H2,1H3,(H2,39,40,41,43);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,36H,8-15,18H2,1H3,(H2,38,39,40,43);2-7,10,17-18,21,31H,8-9,11-16,19H2,1H3,(H2,33,34,35,38).
What are the key properties of N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide has a molecular weight of 2439.41 g/mol, XLogP of 22.69, 32 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[[5-chloro-2-(trifluoromethyl)phenyl]methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-dichlorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 158816784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).