tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride

C55H67ClN10O8 — CID 167543502

About tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride

tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride (PubChem CID 167543502) has the molecular formula C55H67ClN10O8 and a molecular weight of 1031.66 g/mol. Its IUPAC name is tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride
• PubChem CID: 167543502
• Molecular Formula: C55H67ClN10O8
• Molecular Weight: 1031.66 g/mol
• Exact Mass: 1030.48
• IUPAC Name: tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride
• SMILES: COc1ccc(Oc2ccc(-c3nc4n(c3C(N)=O)NCCC4C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.COc1ccc(Oc2ccc(-c3nc4n(c3C(N)=O)NCCC4C3CCNCC3)cc2)cc1.Cl
• InChI: InChI=1S/C30H37N5O5.C25H29N5O3.ClH/c1-30(2,3)40-29(37)34-17-14-19(15-18-34)24-13-16-32-35-26(27(31)36)25(33-28(24)35)20-5-7-22(8-6-20)39-23-11-9-21(38-4)10-12-23;1-32-18-6-8-20(9-7-18)33-19-4-2-17(3-5-19)22-23(24(26)31)30-25(29-22)21(12-15-28-30)16-10-13-27-14-11-16;/h5-12,19,24,32H,13-18H2,1-4H3,(H2,31,36);2-9,16,21,27-28H,10-15H2,1H3,(H2,26,31);1H
• InChIKey: YFPDOQKNQQMJPS-UHFFFAOYSA-N
• XLogP: 9.03
• TPSA: 224.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.66
LogP ≤ 5	9.03
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride?

The IUPAC name of tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride (CID 167543502) is tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride.

What is the SMILES notation for tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride?

The canonical SMILES for tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride is COc1ccc(Oc2ccc(-c3nc4n(c3C(N)=O)NCCC4C3CCN(C(=O)OC(C)(C)C)CC3)cc2)cc1.COc1ccc(Oc2ccc(-c3nc4n(c3C(N)=O)NCCC4C3CCNCC3)cc2)cc1.Cl.

What is the InChIKey of tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride?

The InChIKey is YFPDOQKNQQMJPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N5O5.C25H29N5O3.ClH/c1-30(2,3)40-29(37)34-17-14-19(15-18-34)24-13-16-32-35-26(27(31)36)25(33-28(24)35)20-5-7-22(8-6-20)39-23-11-9-21(38-4)10-12-23;1-32-18-6-8-20(9-7-18)33-19-4-2-17(3-5-19)22-23(24(26)31)30-25(29-22)21(12-15-28-30)16-10-13-27-14-11-16;/h5-12,19,24,32H,13-18H2,1-4H3,(H2,31,36);2-9,16,21,27-28H,10-15H2,1H3,(H2,26,31);1H.

What are the key properties of tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride?

tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride has a molecular weight of 1031.66 g/mol, XLogP of 9.03, 12 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-carbamoyl-2-[4-(4-methoxyphenoxy)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazin-8-yl]piperidine-1-carboxylate;2-[4-(4-methoxyphenoxy)phenyl]-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;hydrochloride is sourced from PubChem (CID 167543502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).