6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one

C17H23N5O3S — CID 126923483

IUPAC6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(S(=O)(=O)N2CCCC2Cn2nc(C3CC3)ccc2=O)cn1C
InChIInChI=1S/C17H23N5O3S/c1-12-18-16(11-20(12)2)26(24,25)22-9-3-4-14(22)10-21-17(23)8-7-15(19-21)13-5-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyRUZMTONBUOLRIZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.02
Rot. Bonds5

About 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one

6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126923483) has the molecular formula C17H23N5O3S and a molecular weight of 377.47 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126923483
Molecular FormulaC17H23N5O3S
Molecular Weight377.47 g/mol
Exact Mass377.15
IUPAC Name6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1nc(S(=O)(=O)N2CCCC2Cn2nc(C3CC3)ccc2=O)cn1C
InChIInChI=1S/C17H23N5O3S/c1-12-18-16(11-20(12)2)26(24,25)22-9-3-4-14(22)10-21-17(23)8-7-15(19-21)13-5-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3
InChIKeyRUZMTONBUOLRIZ-UHFFFAOYSA-N
XLogP1.02
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpiperidin-2-yl]methyl]propan-2-amine
CID 63879468
6-cyclopropyl-2-[[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923570
1-[1-(1,2-dimethylimidazol-4-yl)sulfonylazepan-2-yl]propan-2-ol
CID 79541603
6-cyclopropyl-2-[[1-[(1-methyl-6-oxopyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923606
6-cyclopropyl-2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923552
6-cyclopropyl-2-[[1-[(5-methyl-1,3-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923654
1-(1,2-dimethylimidazol-4-yl)sulfonyl-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102680710
2-[[1-(5-chloropyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126923501
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923609
6-cyclopropyl-2-[[1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-4-yl]methyl]pyridazin-3-one
CID 126865228
6-cyclopropyl-2-[[1-[2-(4-methylpyrazol-1-yl)ethyl]piperidin-4-yl]methyl]pyridazin-3-one
CID 126865435
2-[[1-[2-(azepan-1-yl)ethyl]piperidin-4-yl]methyl]-6-cyclopropylpyridazin-3-one
CID 126865313

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126923483) is 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1nc(S(=O)(=O)N2CCCC2Cn2nc(C3CC3)ccc2=O)cn1C.
What is the InChIKey of 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is RUZMTONBUOLRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3S/c1-12-18-16(11-20(12)2)26(24,25)22-9-3-4-14(22)10-21-17(23)8-7-15(19-21)13-5-6-13/h7-8,11,13-14H,3-6,9-10H2,1-2H3.
What are the key properties of 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one?
6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 377.47 g/mol, XLogP of 1.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[1-(1,2-dimethylimidazol-4-yl)sulfonylpyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126923483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).