4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine

C23H24ClN7 — CID 168979041

IUPAC4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
SMILESCc1cn2nc(-c3cc(Cl)c4cc(N5CC(C)NC6(CC6)C5)cnc4n3)cc(C)c2n1
InChIInChI=1S/C23H24ClN7/c1-13-6-20(29-31-11-14(2)26-22(13)31)19-8-18(24)17-7-16(9-25-21(17)27-19)30-10-15(3)28-23(12-30)4-5-23/h6-9,11,15,28H,4-5,10,12H2,1-3H3
InChIKeyFZWQZFOALBLSAM-UHFFFAOYSA-N
MW433.95 g/mol
LogP3.94
Rot. Bonds2

About 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine

4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine (PubChem CID 168979041) has the molecular formula C23H24ClN7 and a molecular weight of 433.95 g/mol. Its IUPAC name is 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine.

Molecular Properties

Compound Name4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
PubChem CID168979041
Molecular FormulaC23H24ClN7
Molecular Weight433.95 g/mol
Exact Mass433.18
IUPAC Name4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine
SMILESCc1cn2nc(-c3cc(Cl)c4cc(N5CC(C)NC6(CC6)C5)cnc4n3)cc(C)c2n1
InChIInChI=1S/C23H24ClN7/c1-13-6-20(29-31-11-14(2)26-22(13)31)19-8-18(24)17-7-16(9-25-21(17)27-19)30-10-15(3)28-23(12-30)4-5-23/h6-9,11,15,28H,4-5,10,12H2,1-3H3
InChIKeyFZWQZFOALBLSAM-UHFFFAOYSA-N
XLogP3.94
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.95
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine?
The IUPAC name of 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine (CID 168979041) is 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine.
What is the SMILES notation for 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine?
The canonical SMILES for 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine is Cc1cn2nc(-c3cc(Cl)c4cc(N5CC(C)NC6(CC6)C5)cnc4n3)cc(C)c2n1.
What is the InChIKey of 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine?
The InChIKey is FZWQZFOALBLSAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN7/c1-13-6-20(29-31-11-14(2)26-22(13)31)19-8-18(24)17-7-16(9-25-21(17)27-19)30-10-15(3)28-23(12-30)4-5-23/h6-9,11,15,28H,4-5,10,12H2,1-3H3.
What are the key properties of 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine?
4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine has a molecular weight of 433.95 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-6-(5-methyl-4,7-diazaspiro[2.5]octan-7-yl)-1,8-naphthyridine is sourced from PubChem (CID 168979041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).