(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen

C26H33N7O3 — CID 163396322

About (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen

(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen (PubChem CID 163396322) has the molecular formula C26H33N7O3 and a molecular weight of 491.60 g/mol. Its IUPAC name is (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen.

Molecular Properties

• Compound Name: (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
• PubChem CID: 163396322
• Molecular Formula: C26H33N7O3
• Molecular Weight: 491.60 g/mol
• Exact Mass: 491.26
• IUPAC Name: (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen
• SMILES: COc1cc2[nH]ncc2cc1C(=O)Nc1cnc2cccnn12.C[C@@H]1CCC[C@]2(CC(=O)N(C)C2)C1.[H][H]
• InChI: InChI=1S/C15H12N6O2.C11H19NO.H2/c1-23-12-6-11-9(7-17-20-11)5-10(12)15(22)19-14-8-16-13-3-2-4-18-21(13)14;1-9-4-3-5-11(6-9)7-10(13)12(2)8-11;/h2-8H,1H3,(H,17,20)(H,19,22);9H,3-8H2,1-2H3;1H/t;9-,11-;/m.1./s1
• InChIKey: UKTMYBYGCAPHFR-MITSFYNNSA-N
• XLogP: 4.16
• TPSA: 117.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.60
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The IUPAC name of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen (CID 163396322) is (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen.

What is the SMILES notation for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The canonical SMILES for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen is COc1cc2[nH]ncc2cc1C(=O)Nc1cnc2cccnn12.C[C@@H]1CCC[C@]2(CC(=O)N(C)C2)C1.[H][H].

What is the InChIKey of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

The InChIKey is UKTMYBYGCAPHFR-MITSFYNNSA-N. The full InChI is InChI=1S/C15H12N6O2.C11H19NO.H2/c1-23-12-6-11-9(7-17-20-11)5-10(12)15(22)19-14-8-16-13-3-2-4-18-21(13)14;1-9-4-3-5-11(6-9)7-10(13)12(2)8-11;/h2-8H,1H3,(H,17,20)(H,19,22);9H,3-8H2,1-2H3;1H/t;9-,11-;/m.1./s1.

What are the key properties of (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen?

(5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen has a molecular weight of 491.60 g/mol, XLogP of 4.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,7R)-2,7-dimethyl-2-azaspiro[4.5]decan-3-one;N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-1H-indazole-5-carboxamide;molecular hydrogen is sourced from PubChem (CID 163396322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).