N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide

C23H27N7O2 — CID 163396451

About N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide (PubChem CID 163396451) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide.

Molecular Properties

• Compound Name: N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
• PubChem CID: 163396451
• Molecular Formula: C23H27N7O2
• Molecular Weight: 433.52 g/mol
• Exact Mass: 433.22
• IUPAC Name: N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide
• SMILES: CNC1CC[C@@H](n2cc3cc(C(=O)Nc4cnc5cccnn45)c(OC)cc3n2)[C@H](C)C1
• InChI: InChI=1S/C23H27N7O2/c1-14-9-16(24-2)6-7-19(14)29-13-15-10-17(20(32-3)11-18(15)28-29)23(31)27-22-12-25-21-5-4-8-26-30(21)22/h4-5,8,10-14,16,19,24H,6-7,9H2,1-3H3,(H,27,31)/t14-,16?,19-/m1/s1
• InChIKey: OJQYIBOBQFSRFT-WDOBJEIGSA-N
• XLogP: 3.29
• TPSA: 98.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.52
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide?

The IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide (CID 163396451) is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide.

What is the SMILES notation for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide?

The canonical SMILES for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide is CNC1CC[C@@H](n2cc3cc(C(=O)Nc4cnc5cccnn45)c(OC)cc3n2)[C@H](C)C1.

What is the InChIKey of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide?

The InChIKey is OJQYIBOBQFSRFT-WDOBJEIGSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-14-9-16(24-2)6-7-19(14)29-13-15-10-17(20(32-3)11-18(15)28-29)23(31)27-22-12-25-21-5-4-8-26-30(21)22/h4-5,8,10-14,16,19,24H,6-7,9H2,1-3H3,(H,27,31)/t14-,16?,19-/m1/s1.

What are the key properties of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide?

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-[(1R,2R)-2-methyl-4-(methylamino)cyclohexyl]indazole-5-carboxamide is sourced from PubChem (CID 163396451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).