6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide

C55H62ClF2N11O5 — CID 176986153

About 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide

6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide (PubChem CID 176986153) has the molecular formula C55H62ClF2N11O5 and a molecular weight of 1030.62 g/mol. Its IUPAC name is 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide
• PubChem CID: 176986153
• Molecular Formula: C55H62ClF2N11O5
• Molecular Weight: 1030.62 g/mol
• Exact Mass: 1029.46
• IUPAC Name: 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide
• SMILES: CC(=O)N1CCC2=C(C1)C(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)=NC1(C3CCN(C(=O)COC4CCN(c5ccc(C(=O)NC6CCC(Oc7ccc(C#N)c(Cl)c7)CC6)nn5)CC4)CC3)CC21
• InChI: InChI=1S/C55H62ClF2N11O5/c1-33(70)68-23-17-42-45(31-68)53(69-18-3-4-34-24-43(36-29-60-65(2)30-36)44(52(57)58)26-49(34)69)62-55(27-46(42)55)37-13-19-67(20-14-37)51(71)32-73-39-15-21-66(22-16-39)50-12-11-48(63-64-50)54(72)61-38-6-9-40(10-7-38)74-41-8-5-35(28-59)47(56)25-41/h5,8,11-12,24-26,29-30,37-40,46,52H,3-4,6-7,9-10,13-23,27,31-32H2,1-2H3,(H,61,72)
• InChIKey: GMQHEHIFNSRJPV-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 174.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1030.62
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide?

The IUPAC name of 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide (CID 176986153) is 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide.

What is the SMILES notation for 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide?

The canonical SMILES for 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide is CC(=O)N1CCC2=C(C1)C(N1CCCc3cc(-c4cnn(C)c4)c(C(F)F)cc31)=NC1(C3CCN(C(=O)COC4CCN(c5ccc(C(=O)NC6CCC(Oc7ccc(C#N)c(Cl)c7)CC6)nn5)CC4)CC3)CC21.

What is the InChIKey of 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide?

The InChIKey is GMQHEHIFNSRJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H62ClF2N11O5/c1-33(70)68-23-17-42-45(31-68)53(69-18-3-4-34-24-43(36-29-60-65(2)30-36)44(52(57)58)26-49(34)69)62-55(27-46(42)55)37-13-19-67(20-14-37)51(71)32-73-39-15-21-66(22-16-39)50-12-11-48(63-64-50)54(72)61-38-6-9-40(10-7-38)74-41-8-5-35(28-59)47(56)25-41/h5,8,11-12,24-26,29-30,37-40,46,52H,3-4,6-7,9-10,13-23,27,31-32H2,1-2H3,(H,61,72).

What are the key properties of 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide?

6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 1030.62 g/mol, XLogP of 7.86, 11 rotatable bonds, 1 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[2-[4-[5-acetyl-3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-4,6,7,7b-tetrahydro-1H-cyclopropa[c][2,7]naphthyridin-1a-yl]piperidin-1-yl]-2-oxoethoxy]piperidin-1-yl]-N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 176986153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).