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

C147H157F11N34O18S5 — CID 159299118

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

N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide (PubChem CID 159299118) has the molecular formula C147H157F11N34O18S5 and a molecular weight of 3057.41 g/mol. Its IUPAC name is N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide
• PubChem CID: 159299118
• Molecular Formula: C147H157F11N34O18S5
• Molecular Weight: 3057.41 g/mol
• Exact Mass: 3055.08
• IUPAC Name: N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide
• SMILES: CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ncc(Sc5ccccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1
• InChI: InChI=1S/2C30H32F2N6O4S.C29H31F3N8O2S.2C29H31F2N7O4S/c1-38-12-8-18(9-13-38)19-2-4-22(25(16-19)33-21-10-14-42-15-11-21)30(39)35-29-28-24(36-37-29)6-7-27(34-28)43(40,41)26-17-20(31)3-5-23(26)32;1-38-10-6-18(7-11-38)19-2-3-24(26(14-19)33-22-8-12-42-13-9-22)30(39)35-29-28-25(36-37-29)4-5-27(34-28)43(40,41)23-16-20(31)15-21(32)17-23;1-39-10-12-40(13-11-39)19-6-7-20(22(16-19)34-18-8-14-42-15-9-18)28(41)36-27-25-26(37-38-27)33-17-24(35-25)43-23-5-3-2-4-21(23)29(30,31)32;1-37-10-12-38(13-11-37)20-3-4-21(24(17-20)32-19-8-14-42-15-9-19)29(39)34-28-27-23(35-36-28)6-7-26(33-27)43(40,41)25-16-18(30)2-5-22(25)31;1-37-8-10-38(11-9-37)21-2-3-23(25(17-21)32-20-6-12-42-13-7-20)29(39)34-28-27-24(35-36-28)4-5-26(33-27)43(40,41)22-15-18(30)14-19(31)16-22/h2-7,16-18,21,33H,8-15H2,1H3,(H2,35,36,37,39);2-5,14-18,22,33H,6-13H2,1H3,(H2,35,36,37,39);2-7,16-18,34H,8-15H2,1H3,(H2,33,36,37,38,41);2-7,16-17,19,32H,8-15H2,1H3,(H2,34,35,36,39);2-5,14-17,20,32H,6-13H2,1H3,(H2,34,35,36,39)
• InChIKey: LBCIEYAXXUBVHY-UHFFFAOYSA-N
• XLogP: 21.89
• TPSA: 635.02 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 43
• Rotatable Bonds: 35
• Heavy Atoms: 215
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3057.41
LogP ≤ 5	21.89
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	43

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide?

The IUPAC name of N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide (CID 159299118) is N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide.

What is the SMILES notation for N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide?

The canonical SMILES for N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide is CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCC(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3[nH]nc4ncc(Sc5ccccc5C(F)(F)F)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)cc(F)c5)nc34)c(NC3CCOCC3)c2)CC1.CN1CCN(c2ccc(C(=O)Nc3n[nH]c4ccc(S(=O)(=O)c5cc(F)ccc5F)nc34)c(NC3CCOCC3)c2)CC1.

What is the InChIKey of N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide?

The InChIKey is LBCIEYAXXUBVHY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C30H32F2N6O4S.C29H31F3N8O2S.2C29H31F2N7O4S/c1-38-12-8-18(9-13-38)19-2-4-22(25(16-19)33-21-10-14-42-15-11-21)30(39)35-29-28-24(36-37-29)6-7-27(34-28)43(40,41)26-17-20(31)3-5-23(26)32;1-38-10-6-18(7-11-38)19-2-3-24(26(14-19)33-22-8-12-42-13-9-22)30(39)35-29-28-25(36-37-29)4-5-27(34-28)43(40,41)23-16-20(31)15-21(32)17-23;1-39-10-12-40(13-11-39)19-6-7-20(22(16-19)34-18-8-14-42-15-9-18)28(41)36-27-25-26(37-38-27)33-17-24(35-25)43-23-5-3-2-4-21(23)29(30,31)32;1-37-10-12-38(13-11-37)20-3-4-21(24(17-20)32-19-8-14-42-15-9-19)29(39)34-28-27-23(35-36-28)6-7-26(33-27)43(40,41)25-16-18(30)2-5-22(25)31;1-37-8-10-38(11-9-37)21-2-3-23(25(17-21)32-20-6-12-42-13-7-20)29(39)34-28-27-24(35-36-28)4-5-26(33-27)43(40,41)22-15-18(30)14-19(31)16-22/h2-7,16-18,21,33H,8-15H2,1H3,(H2,35,36,37,39);2-5,14-18,22,33H,6-13H2,1H3,(H2,35,36,37,39);2-7,16-18,34H,8-15H2,1H3,(H2,33,36,37,38,41);2-7,16-17,19,32H,8-15H2,1H3,(H2,34,35,36,39);2-5,14-17,20,32H,6-13H2,1H3,(H2,34,35,36,39).

What are the key properties of N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide?

N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide has a molecular weight of 3057.41 g/mol, XLogP of 21.89, 35 rotatable bonds, 15 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(2,5-difluorophenyl)sulfonyl-1H-pyrazolo[4,3-b]pyridin-3-yl]-4-(1-methylpiperidin-4-yl)-2-(oxan-4-ylamino)benzamide;N-[5-(3,5-difluorophenyl)sulfonyl-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-[2-(trifluoromethyl)phenyl]sulfanyl-2H-pyrazolo[3,4-b]pyrazin-3-yl]benzamide is sourced from PubChem (CID 159299118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).