N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide

C25H27N7O3 — CID 163396321

IUPACN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC4(CC3)CC(=O)N(C)C4)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C25H27N7O3/c1-30-15-25(12-23(30)33)7-5-17(6-8-25)31-14-16-10-18(20(35-2)11-19(16)29-31)24(34)28-22-13-26-21-4-3-9-27-32(21)22/h3-4,9-11,13-14,17H,5-8,12,15H2,1-2H3,(H,28,34)
InChIKeyRXVNKPUWTRJPHR-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.30
Rot. Bonds4

About N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide (PubChem CID 163396321) has the molecular formula C25H27N7O3 and a molecular weight of 473.54 g/mol. Its IUPAC name is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
PubChem CID163396321
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC4(CC3)CC(=O)N(C)C4)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C25H27N7O3/c1-30-15-25(12-23(30)33)7-5-17(6-8-25)31-14-16-10-18(20(35-2)11-19(16)29-31)24(34)28-22-13-26-21-4-3-9-27-32(21)22/h3-4,9-11,13-14,17H,5-8,12,15H2,1-2H3,(H,28,34)
InChIKeyRXVNKPUWTRJPHR-UHFFFAOYSA-N
XLogP3.30
TPSA106.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide (CID 163396321) is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide.
What is the SMILES notation for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The canonical SMILES for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide is COc1cc2nn(C3CCC4(CC3)CC(=O)N(C)C4)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The InChIKey is RXVNKPUWTRJPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-30-15-25(12-23(30)33)7-5-17(6-8-25)31-14-16-10-18(20(35-2)11-19(16)29-31)24(34)28-22-13-26-21-4-3-9-27-32(21)22/h3-4,9-11,13-14,17H,5-8,12,15H2,1-2H3,(H,28,34).
What are the key properties of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 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-(2-methyl-3-oxo-2-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide is sourced from PubChem (CID 163396321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).