N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide

C148H163F10N37O10S — CID 158278079

About N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide

N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide (PubChem CID 158278079) has the molecular formula C148H163F10N37O10S and a molecular weight of 2842.23 g/mol. Its IUPAC name is N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide.

Molecular Properties

• Compound Name: N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
• PubChem CID: 158278079
• Molecular Formula: C148H163F10N37O10S
• Molecular Weight: 2842.23 g/mol
• Exact Mass: 2840.29
• IUPAC Name: N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide
• SMILES: CN1CCN(c2ccc(C(=O)Nc3[nH]nc4nc(Sc5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ncc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(Cc5cc(F)cc(F)c5)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(N(C)c5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(Nc5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1
• InChI: InChI=1S/C30H34F2N8O2.2C30H33F2N7O2.C29H32F2N8O2.C29H31F2N7O2S/c1-38-11-13-40(14-12-38)21-4-5-22(25(18-21)33-20-9-15-42-16-10-20)30(41)35-29-23-6-8-27(34-28(23)36-37-29)39(2)26-7-3-19(31)17-24(26)32;1-38-8-10-39(11-9-38)24-3-5-25(27(18-24)33-22-6-12-41-13-7-22)30(40)35-29-26-4-2-23(34-28(26)36-37-29)16-19-14-20(31)17-21(32)15-19;1-38-6-8-39(9-7-38)24-2-3-25(27(17-24)34-23-4-10-41-11-5-23)30(40)35-29-26-15-20(18-33-28(26)36-37-29)12-19-13-21(31)16-22(32)14-19;1-38-10-12-39(13-11-38)20-3-4-21(25(17-20)32-19-8-14-41-15-9-19)29(40)35-28-22-5-7-26(34-27(22)36-37-28)33-24-6-2-18(30)16-23(24)31;1-37-10-12-38(13-11-37)20-3-4-21(24(17-20)32-19-8-14-40-15-9-19)29(39)34-28-22-5-7-26(33-27(22)35-36-28)41-25-6-2-18(30)16-23(25)31/h3-8,17-18,20,33H,9-16H2,1-2H3,(H2,34,35,36,37,41);2-5,14-15,17-18,22,33H,6-13,16H2,1H3,(H2,34,35,36,37,40);2-3,13-18,23,34H,4-12H2,1H3,(H2,33,35,36,37,40);2-7,16-17,19,32H,8-15H2,1H3,(H3,33,34,35,36,37,40);2-7,16-17,19,32H,8-15H2,1H3,(H2,33,34,35,36,39)
• InChIKey: GJWBYFBVQUYSQK-UHFFFAOYSA-N
• XLogP: 23.00
• TPSA: 507.32 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 38
• Rotatable Bonds: 35
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2842.23
LogP ≤ 5	23.00
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	38

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide?

The IUPAC name of N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide (CID 158278079) is N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide.

What is the SMILES notation for N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide?

The canonical SMILES for N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide is CN1CCN(c2ccc(C(=O)Nc3[nH]nc4nc(Sc5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ncc(Cc5cc(F)cc(F)c5)cc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(Cc5cc(F)cc(F)c5)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(N(C)c5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4nc(Nc5ccc(F)cc5F)ccc34)c(NC3CCOCC3)c2)CC1.

What is the InChIKey of N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide?

The InChIKey is GJWBYFBVQUYSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N8O2.2C30H33F2N7O2.C29H32F2N8O2.C29H31F2N7O2S/c1-38-11-13-40(14-12-38)21-4-5-22(25(18-21)33-20-9-15-42-16-10-20)30(41)35-29-23-6-8-27(34-28(23)36-37-29)39(2)26-7-3-19(31)17-24(26)32;1-38-8-10-39(11-9-38)24-3-5-25(27(18-24)33-22-6-12-41-13-7-22)30(40)35-29-26-4-2-23(34-28(26)36-37-29)16-19-14-20(31)17-21(32)15-19;1-38-6-8-39(9-7-38)24-2-3-25(27(17-24)34-23-4-10-41-11-5-23)30(40)35-29-26-15-20(18-33-28(26)36-37-29)12-19-13-21(31)16-22(32)14-19;1-38-10-12-39(13-11-38)20-3-4-21(25(17-20)32-19-8-14-41-15-9-19)29(40)35-28-22-5-7-26(34-27(22)36-37-28)33-24-6-2-18(30)16-23(24)31;1-37-10-12-38(13-11-37)20-3-4-21(24(17-20)32-19-8-14-40-15-9-19)29(39)34-28-22-5-7-26(33-27(22)35-36-28)41-25-6-2-18(30)16-23(25)31/h3-8,17-18,20,33H,9-16H2,1-2H3,(H2,34,35,36,37,41);2-5,14-15,17-18,22,33H,6-13,16H2,1H3,(H2,34,35,36,37,40);2-3,13-18,23,34H,4-12H2,1H3,(H2,33,35,36,37,40);2-7,16-17,19,32H,8-15H2,1H3,(H3,33,34,35,36,37,40);2-7,16-17,19,32H,8-15H2,1H3,(H2,33,34,35,36,39).

What are the key properties of N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide?

N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide has a molecular weight of 2842.23 g/mol, XLogP of 23.00, 35 rotatable bonds, 16 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-(2,4-difluoroanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluoro-N-methylanilino)-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-[(3,5-difluorophenyl)methyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-[(3,5-difluorophenyl)methyl]-1H-pyrazolo[5,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[6-(2,4-difluorophenyl)sulfanyl-2H-pyrazolo[3,4-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide is sourced from PubChem (CID 158278079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).