N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane

C₂₄H₃₂F₂N₆O₂ — CID 157030956

About N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane

N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane (PubChem CID 157030956) has the molecular formula C₂₄H₃₂F₂N₆O₂ and a molecular weight of 474.56 g/mol. Its IUPAC name is N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane.

Molecular Properties

• Compound Name: N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
• PubChem CID: 157030956
• Molecular Formula: C₂₄H₃₂F₂N₆O₂
• Molecular Weight: 474.56 g/mol
• Exact Mass: 474.26
• IUPAC Name: N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane
• SMILES: C1CC1.FC1(F)CCCCC1.NCc1cnn2cc(CNC(=O)c3conc3C3CC3)nc2c1
• InChI: InChI=1S/C15H16N6O2.C6H10F2.C3H6/c16-4-9-3-13-19-11(7-21(13)18-5-9)6-17-15(22)12-8-23-20-14(12)10-1-2-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h3,5,7-8,10H,1-2,4,6,16H2,(H,17,22);1-5H2;1-3H2
• InChIKey: GERGXQZPDIDBQO-UHFFFAOYSA-N
• XLogP: 4.74
• TPSA: 111.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.56
LogP ≤ 5	4.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?

The IUPAC name of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane (CID 157030956) is N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane.

What is the SMILES notation for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?

The canonical SMILES for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane is C1CC1.FC1(F)CCCCC1.NCc1cnn2cc(CNC(=O)c3conc3C3CC3)nc2c1.

What is the InChIKey of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?

The InChIKey is GERGXQZPDIDBQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2.C6H10F2.C3H6/c16-4-9-3-13-19-11(7-21(13)18-5-9)6-17-15(22)12-8-23-20-14(12)10-1-2-10;7-6(8)4-2-1-3-5-6;1-2-3-1/h3,5,7-8,10H,1-2,4,6,16H2,(H,17,22);1-5H2;1-3H2.

What are the key properties of N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane?

N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane has a molecular weight of 474.56 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[7-(aminomethyl)imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-1,2-oxazole-4-carboxamide;cyclopropane;1,1-difluorocyclohexane is sourced from PubChem (CID 157030956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 157030956 — identifiers, structure, computed properties (public domain)

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