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

C152H167F10N33O14 — CID 162259799

IUPACN-[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
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/2C31H34F2N6O3.2C30H33F2N7O3.C30H33F2N7O2/c1-39-12-8-19(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;1-38-8-10-39(11-9-38)24-3-4-25(27(18-24)33-22-6-12-41-13-7-22)30(40)35-29-28-26(36-37-29)5-2-23(34-28)16-19-14-20(31)17-21(32)15-19/h2-7,16-17,19,23,34H,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);2-5,14-15,17-18,22,33H,6-13,16H2,1H3,(H2,35,36,37,40)
InChIKeyZZBWFERJXONOCH-UHFFFAOYSA-N
MW2870.20 g/mol
LogP24.18
Rot. Bonds39

About 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

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 (PubChem CID 162259799) has the molecular formula C152H167F10N33O14 and a molecular weight of 2870.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID162259799
Molecular FormulaC152H167F10N33O14
Molecular Weight2870.20 g/mol
Exact Mass2868.32
IUPAC NameN-[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
SMILESCN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1
InChIInChI=1S/2C31H34F2N6O3.2C30H33F2N7O3.C30H33F2N7O2/c1-39-12-8-19(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;1-38-8-10-39(11-9-38)24-3-4-25(27(18-24)33-22-6-12-41-13-7-22)30(40)35-29-28-26(36-37-29)5-2-23(34-28)16-19-14-20(31)17-21(32)15-19/h2-7,16-17,19,23,34H,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);2-5,14-15,17-18,22,33H,6-13,16H2,1H3,(H2,35,36,37,40)
InChIKeyZZBWFERJXONOCH-UHFFFAOYSA-N
XLogP24.18
TPSA522.49 Ų
H-Bond Donors15
H-Bond Acceptors37
Rotatable Bonds39
Heavy Atoms209
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002870.20
LogP ≤ 524.18
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1037

Analyze 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 with MolForge

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Related Compounds

N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 68349762
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 68349765
N-[5-[(2,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 68349769
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 68349779
N-[5-[(3,5-difluorophenyl)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 89465772
N-[5-[(2,5-difluorophenyl)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 89465843
N-[5-[(3,5-difluorophenyl)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 89465907
N-[5-[(2,5-difluorophenyl)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 89466061
4-(1-methylpiperidin-4-yl)-2-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]-N-[5-(pyridin-3-ylmethoxy)-1H-pyrazolo[4,3-b]pyridin-3-yl]benzamide
CID 89654599
N-[5-[(3,5-difluoro-5-methylcyclohexa-1,3-dien-1-yl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 89947099
N-[5-[(3,5-difluorophenyl)methoxy]-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-ethylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
CID 118383744
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(OCc5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.
What is the InChIKey of 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?
The InChIKey is ZZBWFERJXONOCH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C31H34F2N6O3.2C30H33F2N7O3.C30H33F2N7O2/c1-39-12-8-19(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;1-38-8-10-39(11-9-38)24-3-4-25(27(18-24)33-22-6-12-41-13-7-22)30(40)35-29-28-26(36-37-29)5-2-23(34-28)16-19-14-20(31)17-21(32)15-19/h2-7,16-17,19,23,34H,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);2-5,14-15,17-18,22,33H,6-13,16H2,1H3,(H2,35,36,37,40).
What are the key properties of 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?
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 has a molecular weight of 2870.20 g/mol, XLogP of 24.18, 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)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 is sourced from PubChem (CID 162259799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).