2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

C73H70Cl3F2N15O6S — CID 158438217

About 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone

2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (PubChem CID 158438217) has the molecular formula C73H70Cl3F2N15O6S and a molecular weight of 1429.88 g/mol. Its IUPAC name is 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

Molecular Properties

• Compound Name: 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
• PubChem CID: 158438217
• Molecular Formula: C73H70Cl3F2N15O6S
• Molecular Weight: 1429.88 g/mol
• Exact Mass: 1427.44
• IUPAC Name: 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
• SMILES: CC(F)(F)CN1CCN(C(=O)CNc2nnc(-c3ccccc3)c(Cl)c2Cc2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCS(=O)(=O)CC1
• InChI: InChI=1S/C26H28ClF2N5O.C24H22ClN5O2.C23H20ClN5O3S/c1-26(28,29)18-33-12-14-34(15-13-33)22(35)17-30-25-21(16-19-8-4-2-5-9-19)23(27)24(31-32-25)20-10-6-3-7-11-20;25-21-20-22(16-7-3-1-4-8-16)28-30(15-19(32)29-13-11-18(31)12-14-29)24(20)27-26-23(21)17-9-5-2-6-10-17;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-33(31,32)14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17/h2-11H,12-18H2,1H3,(H,30,32);1-10,18,31H,11-15H2;1-10H,11-15H2
• InChIKey: HCMKOXMAUGHKIN-UHFFFAOYSA-N
• XLogP: 11.47
• TPSA: 243.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1429.88
LogP ≤ 5	11.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?

The IUPAC name of 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone (CID 158438217) is 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone.

What is the SMILES notation for 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?

The canonical SMILES for 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is CC(F)(F)CN1CCN(C(=O)CNc2nnc(-c3ccccc3)c(Cl)c2Cc2ccccc2)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCC(O)CC1.O=C(Cn1nc(-c2ccccc2)c2c(Cl)c(-c3ccccc3)nnc21)N1CCS(=O)(=O)CC1.

What is the InChIKey of 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?

The InChIKey is HCMKOXMAUGHKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClF2N5O.C24H22ClN5O2.C23H20ClN5O3S/c1-26(28,29)18-33-12-14-34(15-13-33)22(35)17-30-25-21(16-19-8-4-2-5-9-19)23(27)24(31-32-25)20-10-6-3-7-11-20;25-21-20-22(16-7-3-1-4-8-16)28-30(15-19(32)29-13-11-18(31)12-14-29)24(20)27-26-23(21)17-9-5-2-6-10-17;24-20-19-21(16-7-3-1-4-8-16)27-29(15-18(30)28-11-13-33(31,32)14-12-28)23(19)26-25-22(20)17-9-5-2-6-10-17/h2-11H,12-18H2,1H3,(H,30,32);1-10,18,31H,11-15H2;1-10H,11-15H2.

What are the key properties of 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone?

2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone has a molecular weight of 1429.88 g/mol, XLogP of 11.47, 16 rotatable bonds, 2 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-benzyl-5-chloro-6-phenylpyridazin-3-yl)amino]-1-[4-(2,2-difluoropropyl)piperazin-1-yl]ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(1,1-dioxo-1,4-thiazinan-4-yl)ethanone;2-(4-chloro-3,5-diphenylpyrazolo[3,4-c]pyridazin-1-yl)-1-(4-hydroxypiperidin-1-yl)ethanone is sourced from PubChem (CID 158438217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).