(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

C21H24N6O3S — CID 134310595

IUPAC(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C21H24N6O3S/c28-21(17-3-5-18(6-4-17)31(29,30)26-10-1-2-11-26)25-15-13-24(14-16-25)20-8-7-19-22-9-12-27(19)23-20/h3-9,12H,1-2,10-11,13-16H2
InChIKeyNCIBDENEHNTESL-UHFFFAOYSA-N
MW440.53 g/mol
LogP1.48
Rot. Bonds4

About (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (PubChem CID 134310595) has the molecular formula C21H24N6O3S and a molecular weight of 440.53 g/mol. Its IUPAC name is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
PubChem CID134310595
Molecular FormulaC21H24N6O3S
Molecular Weight440.53 g/mol
Exact Mass440.16
IUPAC Name(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
SMILESO=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc3nccn3n2)CC1
InChIInChI=1S/C21H24N6O3S/c28-21(17-3-5-18(6-4-17)31(29,30)26-10-1-2-11-26)25-15-13-24(14-16-25)20-8-7-19-22-9-12-27(19)23-20/h3-9,12H,1-2,10-11,13-16H2
InChIKeyNCIBDENEHNTESL-UHFFFAOYSA-N
XLogP1.48
TPSA91.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 134310589
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CID 60505605
(4-pyrrolidin-1-ylsulfonylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 26661687
[4-(azepan-1-ylsulfonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 2444296
piperidin-1-yl-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 799715
(4-pyrrolidin-1-ylsulfonylphenyl)-[4-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 90626483
(4-pyridin-1-ium-4-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 9228522
[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone
CID 46455043
6-piperidin-1-ylimidazo[1,2-b]pyridazine
CID 23657730
1-[4-(4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carbonyl)piperidin-1-yl]ethanone
CID 91830679
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(1,2,5-trimethylpyrrol-3-yl)methanone
CID 90653625

Frequently Asked Questions

What is the IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone (CID 134310595) is (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is O=C(c1ccc(S(=O)(=O)N2CCCC2)cc1)N1CCN(c2ccc3nccn3n2)CC1.
What is the InChIKey of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
The InChIKey is NCIBDENEHNTESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O3S/c28-21(17-3-5-18(6-4-17)31(29,30)26-10-1-2-11-26)25-15-13-24(14-16-25)20-8-7-19-22-9-12-27(19)23-20/h3-9,12H,1-2,10-11,13-16H2.
What are the key properties of (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone?
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone has a molecular weight of 440.53 g/mol, XLogP of 1.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 134310595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).