1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone

C110H118F5N31O8S2 — CID 159012432

About 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone

1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone (PubChem CID 159012432) has the molecular formula C110H118F5N31O8S2 and a molecular weight of 2161.49 g/mol. Its IUPAC name is 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone
• PubChem CID: 159012432
• Molecular Formula: C110H118F5N31O8S2
• Molecular Weight: 2161.49 g/mol
• Exact Mass: 2159.91
• IUPAC Name: 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone
• SMILES: CC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(C)=O)CC3)c2)cc1NCc1cccc2ccsc12.CC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc2ccsc12.CCn1cc(Nc2cc(NCc3cccc(F)c3F)c(C(C)=O)nn2)cn1
• InChI: InChI=1S/C26H29N7O2S.C24H26N6O2S.C22H24F2N6O2.C20H21FN6O.C18H18F2N6O/c1-17(34)25-23(27-13-21-5-3-4-20-8-11-36-26(20)21)12-24(30-31-25)29-22-14-28-33(16-22)15-19-6-9-32(10-7-19)18(2)35;1-16(31)23-21(25-12-19-4-2-3-18-7-10-33-24(18)19)11-22(28-29-23)27-20-13-26-30(15-20)14-17-5-8-32-9-6-17;1-14(31)22-19(25-10-16-3-2-4-18(23)21(16)24)9-20(28-29-22)27-17-11-26-30(13-17)12-15-5-7-32-8-6-15;1-13(28)20-18(22-9-15-3-2-4-16(21)7-15)8-19(25-26-20)24-17-10-23-27(12-17)11-14-5-6-14;1-3-26-10-13(9-22-26)23-16-7-15(18(11(2)27)25-24-16)21-8-12-5-4-6-14(19)17(12)20/h3-5,8,11-12,14,16,19H,6-7,9-10,13,15H2,1-2H3,(H2,27,29,30);2-4,7,10-11,13,15,17H,5-6,8-9,12,14H2,1H3,(H2,25,27,28);2-4,9,11,13,15H,5-8,10,12H2,1H3,(H2,25,27,28);2-4,7-8,10,12,14H,5-6,9,11H2,1H3,(H2,22,24,25);4-7,9-10H,3,8H2,1-2H3,(H2,21,23,24)
• InChIKey: JSQWQZWFEAVEAO-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 462.42 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 40
• Rotatable Bonds: 39
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2161.49
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone?

The IUPAC name of 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone (CID 159012432) is 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone.

What is the SMILES notation for 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone?

The canonical SMILES for 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone is CC(=O)c1nnc(Nc2cnn(CC3CC3)c2)cc1NCc1cccc(F)c1.CC(=O)c1nnc(Nc2cnn(CC3CCN(C(C)=O)CC3)c2)cc1NCc1cccc2ccsc12.CC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc(F)c1F.CC(=O)c1nnc(Nc2cnn(CC3CCOCC3)c2)cc1NCc1cccc2ccsc12.CCn1cc(Nc2cc(NCc3cccc(F)c3F)c(C(C)=O)nn2)cn1.

What is the InChIKey of 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone?

The InChIKey is JSQWQZWFEAVEAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N7O2S.C24H26N6O2S.C22H24F2N6O2.C20H21FN6O.C18H18F2N6O/c1-17(34)25-23(27-13-21-5-3-4-20-8-11-36-26(20)21)12-24(30-31-25)29-22-14-28-33(16-22)15-19-6-9-32(10-7-19)18(2)35;1-16(31)23-21(25-12-19-4-2-3-18-7-10-33-24(18)19)11-22(28-29-23)27-20-13-26-30(15-20)14-17-5-8-32-9-6-17;1-14(31)22-19(25-10-16-3-2-4-18(23)21(16)24)9-20(28-29-22)27-17-11-26-30(13-17)12-15-5-7-32-8-6-15;1-13(28)20-18(22-9-15-3-2-4-16(21)7-15)8-19(25-26-20)24-17-10-23-27(12-17)11-14-5-6-14;1-3-26-10-13(9-22-26)23-16-7-15(18(11(2)27)25-24-16)21-8-12-5-4-6-14(19)17(12)20/h3-5,8,11-12,14,16,19H,6-7,9-10,13,15H2,1-2H3,(H2,27,29,30);2-4,7,10-11,13,15,17H,5-6,8-9,12,14H2,1H3,(H2,25,27,28);2-4,9,11,13,15H,5-8,10,12H2,1H3,(H2,25,27,28);2-4,7-8,10,12,14H,5-6,9,11H2,1H3,(H2,22,24,25);4-7,9-10H,3,8H2,1-2H3,(H2,21,23,24).

What are the key properties of 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone?

1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone has a molecular weight of 2161.49 g/mol, XLogP of 20.82, 39 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-[[1-[(1-acetylpiperidin-4-yl)methyl]pyrazol-4-yl]amino]-4-(1-benzothiophen-7-ylmethylamino)pyridazin-3-yl]ethanone;1-[4-(1-benzothiophen-7-ylmethylamino)-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone;1-[6-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]-4-[(3-fluorophenyl)methylamino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[(1-ethylpyrazol-4-yl)amino]pyridazin-3-yl]ethanone;1-[4-[(2,3-difluorophenyl)methylamino]-6-[[1-(oxan-4-ylmethyl)pyrazol-4-yl]amino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 159012432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).