N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide

C153H167F11N32O10S5 — CID 160867117

IUPACN-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5ccccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C31H33F3N6O2S.2C31H34F2N6O2S.2C30H33F2N7O2S/c1-40-14-10-19(11-15-40)20-6-7-22(25(18-20)35-21-12-16-42-17-13-21)30(41)37-29-28-24(38-39-29)8-9-27(36-28)43-26-5-3-2-4-23(26)31(32,33)34;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;1-39-10-6-20(7-11-39)21-2-3-25(27(16-21)34-24-8-12-41-13-9-24)31(40)36-30-29-26(37-38-30)4-5-28(35-29)42-18-19-14-22(32)17-23(33)15-19;1-38-10-12-39(13-11-38)22-3-4-23(26(17-22)33-21-8-14-41-15-9-21)30(40)35-29-28-25(36-37-29)6-7-27(34-28)42-18-19-16-20(31)2-5-24(19)32;1-38-8-10-39(11-9-38)23-2-3-24(26(17-23)33-22-6-12-41-13-7-22)30(40)35-29-28-25(36-37-29)4-5-27(34-28)42-18-19-14-20(31)16-21(32)15-19/h2-9,18-19,21,35H,10-17H2,1H3,(H2,37,38,39,41);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-5,14-17,20,24,34H,6-13,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,33H,8-15,18H2,1H3,(H2,35,36,37,40);2-5,14-17,22,33H,6-13,18H2,1H3,(H2,35,36,37,40)
InChIKeySLGLYMVHHPQPDQ-UHFFFAOYSA-N
MW2983.55 g/mol
LogP29.39
Rot. Bonds39

About N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide

N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide (PubChem CID 160867117) has the molecular formula C153H167F11N32O10S5 and a molecular weight of 2983.55 g/mol. Its IUPAC name is N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
PubChem CID160867117
Molecular FormulaC153H167F11N32O10S5
Molecular Weight2983.55 g/mol
Exact Mass2981.20
IUPAC NameN-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5ccccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/C31H33F3N6O2S.2C31H34F2N6O2S.2C30H33F2N7O2S/c1-40-14-10-19(11-15-40)20-6-7-22(25(18-20)35-21-12-16-42-17-13-21)30(41)37-29-28-24(38-39-29)8-9-27(36-28)43-26-5-3-2-4-23(26)31(32,33)34;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;1-39-10-6-20(7-11-39)21-2-3-25(27(16-21)34-24-8-12-41-13-9-24)31(40)36-30-29-26(37-38-30)4-5-28(35-29)42-18-19-14-22(32)17-23(33)15-19;1-38-10-12-39(13-11-38)22-3-4-23(26(17-22)33-21-8-14-41-15-9-21)30(40)35-29-28-25(36-37-29)6-7-27(34-28)42-18-19-16-20(31)2-5-24(19)32;1-38-8-10-39(11-9-38)23-2-3-24(26(17-23)33-22-6-12-41-13-7-22)30(40)35-29-28-25(36-37-29)4-5-27(34-28)42-18-19-14-20(31)16-21(32)15-19/h2-9,18-19,21,35H,10-17H2,1H3,(H2,37,38,39,41);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-5,14-17,20,24,34H,6-13,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,33H,8-15,18H2,1H3,(H2,35,36,37,40);2-5,14-17,22,33H,6-13,18H2,1H3,(H2,35,36,37,40)
InChIKeySLGLYMVHHPQPDQ-UHFFFAOYSA-N
XLogP29.39
TPSA482.33 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms211
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002983.55
LogP ≤ 529.39
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

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

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Launch Full Analysis

Related Compounds

N-[5-(3,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 68349774
N-[5-(2,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 68349776
4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)-N-[5-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 68349786
N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 68349799
N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 68349817
4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)-N-[5-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 68349828
N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 68349829
N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide
CID 68349843
N-[5-(3,5-difluorophenyl)sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465475
4-(4-methylpiperazin-1-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]-N-[5-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 89465479
N-[5-[(2,5-difluorophenyl)methylsulfinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465588
N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]benzamide
CID 89465648

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The IUPAC name of N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide (CID 160867117) is N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide.
What is the SMILES notation for N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The canonical SMILES for N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(Sc5ccccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(SCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.
What is the InChIKey of N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
The InChIKey is SLGLYMVHHPQPDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33F3N6O2S.2C31H34F2N6O2S.2C30H33F2N7O2S/c1-40-14-10-19(11-15-40)20-6-7-22(25(18-20)35-21-12-16-42-17-13-21)30(41)37-29-28-24(38-39-29)8-9-27(36-28)43-26-5-3-2-4-23(26)31(32,33)34;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;1-39-10-6-20(7-11-39)21-2-3-25(27(16-21)34-24-8-12-41-13-9-24)31(40)36-30-29-26(37-38-30)4-5-28(35-29)42-18-19-14-22(32)17-23(33)15-19;1-38-10-12-39(13-11-38)22-3-4-23(26(17-22)33-21-8-14-41-15-9-21)30(40)35-29-28-25(36-37-29)6-7-27(34-28)42-18-19-16-20(31)2-5-24(19)32;1-38-8-10-39(11-9-38)23-2-3-24(26(17-23)33-22-6-12-41-13-7-22)30(40)35-29-28-25(36-37-29)4-5-27(34-28)42-18-19-14-20(31)16-21(32)15-19/h2-9,18-19,21,35H,10-17H2,1H3,(H2,37,38,39,41);2-7,16-17,19,23,34H,8-15,18H2,1H3,(H2,36,37,38,40);2-5,14-17,20,24,34H,6-13,18H2,1H3,(H2,36,37,38,40);2-7,16-17,21,33H,8-15,18H2,1H3,(H2,35,36,37,40);2-5,14-17,22,33H,6-13,18H2,1H3,(H2,35,36,37,40).
What are the key properties of N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide?
N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide has a molecular weight of 2983.55 g/mol, XLogP of 29.39, 39 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(2,5-difluorophenyl)methylsulfanyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methylsulfanyl]-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-[2-(trifluoromethyl)phenyl]sulfanyl-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 160867117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).