3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

C16H21N5O3S — CID 154576236

IUPAC3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1cnc(S(=O)(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c1
InChIInChI=1S/C16H21N5O3S/c1-20-9-16(17-11-20)25(22,23)21-7-6-12(8-21)10-24-15-5-4-14(18-19-15)13-2-3-13/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHCKBFMCPSZFUFR-UHFFFAOYSA-N
MW363.44 g/mol
LogP1.18
Rot. Bonds6

About 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine

3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (PubChem CID 154576236) has the molecular formula C16H21N5O3S and a molecular weight of 363.44 g/mol. Its IUPAC name is 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.

Molecular Properties

Compound Name3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
PubChem CID154576236
Molecular FormulaC16H21N5O3S
Molecular Weight363.44 g/mol
Exact Mass363.14
IUPAC Name3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
SMILESCn1cnc(S(=O)(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c1
InChIInChI=1S/C16H21N5O3S/c1-20-9-16(17-11-20)25(22,23)21-7-6-12(8-21)10-24-15-5-4-14(18-19-15)13-2-3-13/h4-5,9,11-13H,2-3,6-8,10H2,1H3
InChIKeyHCKBFMCPSZFUFR-UHFFFAOYSA-N
XLogP1.18
TPSA90.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-fluorophenyl)-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine
CID 154581567
1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-ol
CID 62916956
[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methanamine
CID 62374632
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 154576110
[3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]pyrrolidin-1-yl]-(1-methylindol-3-yl)methanone
CID 154576429
2-methoxy-6-[(3S)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]oxypyrazine
CID 100615718
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]acetic acid
CID 62689062
4-bromo-1-(1-methylimidazol-4-yl)sulfonylpiperidine
CID 80673248
1-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258937
3-[(6-cyclopropylpyridazin-3-yl)oxymethyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 154576121
8-[[(3R)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methyl]quinoline
CID 124951511
3-methyl-1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-amine;hydrochloride
CID 119984050

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The IUPAC name of 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine (CID 154576236) is 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine.
What is the SMILES notation for 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The canonical SMILES for 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is Cn1cnc(S(=O)(=O)N2CCC(COc3ccc(C4CC4)nn3)C2)c1.
What is the InChIKey of 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
The InChIKey is HCKBFMCPSZFUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O3S/c1-20-9-16(17-11-20)25(22,23)21-7-6-12(8-21)10-24-15-5-4-14(18-19-15)13-2-3-13/h4-5,9,11-13H,2-3,6-8,10H2,1H3.
What are the key properties of 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine?
3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine has a molecular weight of 363.44 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-[[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]methoxy]pyridazine is sourced from PubChem (CID 154576236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).