6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane

C45H51ClF2N10O4 — CID 176559114

About 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane

6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (PubChem CID 176559114) has the molecular formula C45H51ClF2N10O4 and a molecular weight of 869.42 g/mol. Its IUPAC name is 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

Molecular Properties

• Compound Name: 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• PubChem CID: 176559114
• Molecular Formula: C45H51ClF2N10O4
• Molecular Weight: 869.42 g/mol
• Exact Mass: 868.38
• IUPAC Name: 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane
• SMILES: C1CC1.CCCN(C(=O)NC=O)c1cc(C(C(F)F)N2CCC3(CC2)CC(Oc2ccc(-c4cccc5c4CCN5c4cc(NC)c5ncc(C(N)=O)n5n4)nc2)C3)ccc1Cl
• InChI: InChI=1S/C42H45ClF2N10O4.C3H6/c1-3-14-54(41(58)50-24-56)34-18-25(7-9-30(34)43)37(38(44)45)52-16-12-42(13-17-52)20-27(21-42)59-26-8-10-31(48-22-26)28-5-4-6-33-29(28)11-15-53(33)36-19-32(47-2)40-49-23-35(39(46)57)55(40)51-36;1-2-3-1/h4-10,18-19,22-24,27,37-38,47H,3,11-17,20-21H2,1-2H3,(H2,46,57)(H,50,56,58);1-3H2
• InChIKey: GNGACDLFMGHLSU-UHFFFAOYSA-N
• XLogP: 8.16
• TPSA: 163.32 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	869.42
LogP ≤ 5	8.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The IUPAC name of 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane (CID 176559114) is 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane.

What is the SMILES notation for 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The canonical SMILES for 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is C1CC1.CCCN(C(=O)NC=O)c1cc(C(C(F)F)N2CCC3(CC2)CC(Oc2ccc(-c4cccc5c4CCN5c4cc(NC)c5ncc(C(N)=O)n5n4)nc2)C3)ccc1Cl.

What is the InChIKey of 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

The InChIKey is GNGACDLFMGHLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H45ClF2N10O4.C3H6/c1-3-14-54(41(58)50-24-56)34-18-25(7-9-30(34)43)37(38(44)45)52-16-12-42(13-17-52)20-27(21-42)59-26-8-10-31(48-22-26)28-5-4-6-33-29(28)11-15-53(33)36-19-32(47-2)40-49-23-35(39(46)57)55(40)51-36;1-2-3-1/h4-10,18-19,22-24,27,37-38,47H,3,11-17,20-21H2,1-2H3,(H2,46,57)(H,50,56,58);1-3H2.

What are the key properties of 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane?

6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane has a molecular weight of 869.42 g/mol, XLogP of 8.16, 13 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[5-[[7-[1-[4-chloro-3-[formylcarbamoyl(propyl)amino]phenyl]-2,2-difluoroethyl]-7-azaspiro[3.5]nonan-2-yl]oxy]-2-pyridinyl]-2,3-dihydroindol-1-yl]-8-(methylamino)imidazo[1,2-b]pyridazine-3-carboxamide;cyclopropane is sourced from PubChem (CID 176559114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).