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

C150H166ClF7N34O13S2 — CID 161234331

IUPACN-[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
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(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C32H34ClF3N6O3.C30H32F2N6O2S.C30H35N7O3.C29H31F2N7O2S.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;1-38-10-6-18(7-11-38)19-2-3-24(26(14-19)33-22-8-12-40-13-9-22)30(39)35-29-28-25(36-37-29)4-5-27(34-28)41-23-16-20(31)15-21(32)17-23;1-37-13-8-21(9-14-37)22-4-5-24(26(17-22)32-23-10-15-39-16-11-23)30(38)34-29-28-25(35-36-29)6-7-27(33-28)40-19-20-3-2-12-31-18-20;1-37-8-10-38(11-9-37)21-2-3-23(25(17-21)32-20-6-12-40-13-7-20)29(39)34-28-27-24(35-36-28)4-5-26(33-27)41-22-15-18(30)14-19(31)16-22;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);2-5,14-18,22,33H,6-13H2,1H3,(H2,35,36,37,39);2-7,12,17-18,21,23,32H,8-11,13-16,19H2,1H3,(H2,34,35,36,38);2-5,14-17,20,32H,6-13H2,1H3,(H2,34,35,36,39);2-7,10,17-18,21,31H,8-9,11-16,19H2,1H3,(H2,33,34,35,38)
InChIKeyUZEBQUPJWHEPRD-UHFFFAOYSA-N
MW2885.78 g/mol
LogP25.99
Rot. Bonds38

About 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

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 (PubChem CID 161234331) has the molecular formula C150H166ClF7N34O13S2 and a molecular weight of 2885.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID161234331
Molecular FormulaC150H166ClF7N34O13S2
Molecular Weight2885.78 g/mol
Exact Mass2883.24
IUPAC NameN-[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
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(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C32H34ClF3N6O3.C30H32F2N6O2S.C30H35N7O3.C29H31F2N7O2S.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;1-38-10-6-18(7-11-38)19-2-3-24(26(14-19)33-22-8-12-40-13-9-22)30(39)35-29-28-25(36-37-29)4-5-27(34-28)41-23-16-20(31)15-21(32)17-23;1-37-13-8-21(9-14-37)22-4-5-24(26(17-22)32-23-10-15-39-16-11-23)30(38)34-29-28-25(35-36-29)6-7-27(33-28)40-19-20-3-2-12-31-18-20;1-37-8-10-38(11-9-37)21-2-3-23(25(17-21)32-20-6-12-40-13-7-20)29(39)34-28-27-24(35-36-28)4-5-26(33-27)41-22-15-18(30)14-19(31)16-22;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);2-5,14-18,22,33H,6-13H2,1H3,(H2,35,36,37,39);2-7,12,17-18,21,23,32H,8-11,13-16,19H2,1H3,(H2,34,35,36,38);2-5,14-17,20,32H,6-13H2,1H3,(H2,34,35,36,39);2-7,10,17-18,21,31H,8-9,11-16,19H2,1H3,(H2,33,34,35,38)
InChIKeyUZEBQUPJWHEPRD-UHFFFAOYSA-N
XLogP25.99
TPSA535.80 Ų
H-Bond Donors15
H-Bond Acceptors39
Rotatable Bonds38
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002885.78
LogP ≤ 525.99
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1039

Analyze 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 with MolForge

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Related Compounds

4-[1-[[4-[2-[[5-(3,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]carbamoyl]-5-(1-methylpiperidin-4-yl)anilino]oxan-2-yl]methyl]piperidin-4-yl]-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 123464713
4-[1-[[4-[2-[[5-(3,5-difluorophenyl)sulfanyl-2H-pyrazolo[4,3-b]pyridin-3-yl]carbamoyl]-5-[1-[[4-[2-[[5-(2,5-difluorophenyl)sulfanyl-2H-pyrazolo[4,3-b]pyridin-3-yl]carbamoyl]-5-(1-methylpiperidin-4-yl)anilino]oxan-2-yl]methyl]piperidin-4-yl]anilino]oxan-2-yl]methyl]piperidin-4-yl]-2-(oxan-4-ylamino)-N-[5-(pyridin-3-ylmethoxy)-2H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 123697303
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
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-(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-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methylamino]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)sulfonylmethyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 158109217
N-[5-[2-(3,5-difluorophenyl)ethyl]-2H-pyrazolo[3,4-b]pyrazin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)sulfonylmethyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 158388260
N-[5-(2,5-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-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfanyl-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-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)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 159658260
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-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;N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 160228840
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-[(3,5-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;N-[5-[(3,5-difluorophenyl)methoxy]-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-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 162259799

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-(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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 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(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cccnc5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5cc(F)cc(F)c5)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-(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?
The InChIKey is UZEBQUPJWHEPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34ClF3N6O3.C30H32F2N6O2S.C30H35N7O3.C29H31F2N7O2S.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;1-38-10-6-18(7-11-38)19-2-3-24(26(14-19)33-22-8-12-40-13-9-22)30(39)35-29-28-25(36-37-29)4-5-27(34-28)41-23-16-20(31)15-21(32)17-23;1-37-13-8-21(9-14-37)22-4-5-24(26(17-22)32-23-10-15-39-16-11-23)30(38)34-29-28-25(35-36-29)6-7-27(33-28)40-19-20-3-2-12-31-18-20;1-37-8-10-38(11-9-37)21-2-3-23(25(17-21)32-20-6-12-40-13-7-20)29(39)34-28-27-24(35-36-28)4-5-26(33-27)41-22-15-18(30)14-19(31)16-22;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);2-5,14-18,22,33H,6-13H2,1H3,(H2,35,36,37,39);2-7,12,17-18,21,23,32H,8-11,13-16,19H2,1H3,(H2,34,35,36,38);2-5,14-17,20,32H,6-13H2,1H3,(H2,34,35,36,39);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-(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?
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 has a molecular weight of 2885.78 g/mol, XLogP of 25.99, 38 rotatable bonds, 15 hydrogen bond donors, and 39 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-(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 is sourced from PubChem (CID 161234331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).