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

C25H27N7O3 — CID 163396372

IUPACN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC4(CCC(=O)N4C)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C25H27N7O3/c1-30-23(33)7-10-25(30)8-5-17(6-9-25)31-15-16-12-18(20(35-2)13-19(16)29-31)24(34)28-22-14-26-21-4-3-11-27-32(21)22/h3-4,11-15,17H,5-10H2,1-2H3,(H,28,34)
InChIKeyHDVFOUJUARLQJK-UHFFFAOYSA-N
MW473.54 g/mol
LogP3.45
Rot. Bonds4

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

N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide (PubChem CID 163396372) 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-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide.

Molecular Properties

Compound NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
PubChem CID163396372
Molecular FormulaC25H27N7O3
Molecular Weight473.54 g/mol
Exact Mass473.22
IUPAC NameN-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide
SMILESCOc1cc2nn(C3CCC4(CCC(=O)N4C)CC3)cc2cc1C(=O)Nc1cnc2cccnn12
InChIInChI=1S/C25H27N7O3/c1-30-23(33)7-10-25(30)8-5-17(6-9-25)31-15-16-12-18(20(35-2)13-19(16)29-31)24(34)28-22-14-26-21-4-3-11-27-32(21)22/h3-4,11-15,17H,5-10H2,1-2H3,(H,28,34)
InChIKeyHDVFOUJUARLQJK-UHFFFAOYSA-N
XLogP3.45
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 ≤ 53.45
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-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The IUPAC name of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide (CID 163396372) is N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-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-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The canonical SMILES for N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide is COc1cc2nn(C3CCC4(CCC(=O)N4C)CC3)cc2cc1C(=O)Nc1cnc2cccnn12.
What is the InChIKey of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
The InChIKey is HDVFOUJUARLQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3/c1-30-23(33)7-10-25(30)8-5-17(6-9-25)31-15-16-12-18(20(35-2)13-19(16)29-31)24(34)28-22-14-26-21-4-3-11-27-32(21)22/h3-4,11-15,17H,5-10H2,1-2H3,(H,28,34).
What are the key properties of N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide?
N-imidazo[1,2-b]pyridazin-3-yl-6-methoxy-2-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide has a molecular weight of 473.54 g/mol, XLogP of 3.45, 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-(1-methyl-2-oxo-1-azaspiro[4.5]decan-8-yl)indazole-5-carboxamide is sourced from PubChem (CID 163396372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).