6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine

C26H29FN6 — CID 168902446

IUPAC6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
SMILESCc1cn2nc(-c3cc(F)c4nn(C5CCN(CC6CC6)C6(CC6)C5)cc4c3)cc(C)c2n1
InChIInChI=1S/C26H29FN6/c1-16-9-23(29-33-13-17(2)28-25(16)33)19-10-20-15-32(30-24(20)22(27)11-19)21-5-8-31(14-18-3-4-18)26(12-21)6-7-26/h9-11,13,15,18,21H,3-8,12,14H2,1-2H3
InChIKeyCDOSQJYOXHIGQS-UHFFFAOYSA-N
MW444.56 g/mol
LogP5.08
Rot. Bonds4

About 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine

6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine (PubChem CID 168902446) has the molecular formula C26H29FN6 and a molecular weight of 444.56 g/mol. Its IUPAC name is 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
PubChem CID168902446
Molecular FormulaC26H29FN6
Molecular Weight444.56 g/mol
Exact Mass444.24
IUPAC Name6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
SMILESCc1cn2nc(-c3cc(F)c4nn(C5CCN(CC6CC6)C6(CC6)C5)cc4c3)cc(C)c2n1
InChIInChI=1S/C26H29FN6/c1-16-9-23(29-33-13-17(2)28-25(16)33)19-10-20-15-32(30-24(20)22(27)11-19)21-5-8-31(14-18-3-4-18)26(12-21)6-7-26/h9-11,13,15,18,21H,3-8,12,14H2,1-2H3
InChIKeyCDOSQJYOXHIGQS-UHFFFAOYSA-N
XLogP5.08
TPSA51.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.56
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-7-fluoroindazol-2-yl]-N-methylcyclohexan-1-amine
CID 177038460
6-[2-(1-cyclopropylpiperidin-4-yl)-7-fluoroindazol-5-yl]-8-(difluoromethyl)-2-methylimidazo[1,2-b]pyridazine
CID 170593526
6-[2-[1-(cyclopropylmethyl)piperidin-4-yl]-8-fluoroimidazo[1,2-a]pyridin-6-yl]-2,8-dimethylimidazo[1,2-b]pyridazine
CID 170593629
2-cyclohexyl-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-8-fluoroquinoxaline
CID 158932290
tert-butyl 4-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoroindazol-2-yl]piperidine-1-carboxylate
CID 170340755
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-(1-methylpiperidin-4-yl)-1,3-benzoxazol-2-amine
CID 170593997
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-2-piperidin-4-yl-1,3-benzothiazole;hydrochloride
CID 153383064
N-(1-cyclobutylpiperidin-4-yl)-6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-amine
CID 170594005
tert-butyl 7-[7-fluoro-5-(7-fluoro-2-methylindazol-5-yl)indazol-2-yl]-4-azaspiro[2.5]octane-4-carboxylate
CID 168902406
1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-3-amine
CID 170593791
7-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-5-fluoro-3-[1-(2-fluoroethyl)piperidin-4-yl]cinnoline
CID 146585408
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(3,5-dimethylpiperazin-1-yl)-4-fluoro-1,3-benzothiazole;hydrochloride
CID 153383443

Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The IUPAC name of 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine (CID 168902446) is 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine is Cc1cn2nc(-c3cc(F)c4nn(C5CCN(CC6CC6)C6(CC6)C5)cc4c3)cc(C)c2n1.
What is the InChIKey of 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
The InChIKey is CDOSQJYOXHIGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN6/c1-16-9-23(29-33-13-17(2)28-25(16)33)19-10-20-15-32(30-24(20)22(27)11-19)21-5-8-31(14-18-3-4-18)26(12-21)6-7-26/h9-11,13,15,18,21H,3-8,12,14H2,1-2H3.
What are the key properties of 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine?
6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine has a molecular weight of 444.56 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(cyclopropylmethyl)-4-azaspiro[2.5]octan-7-yl]-7-fluoroindazol-5-yl]-2,8-dimethylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 168902446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).