6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

C18H21N7O — CID 126926534

IUPAC6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cncc(CN2CCCC2Cn2nc(-n3ccnc3)ccc2=O)n1
InChIInChI=1S/C18H21N7O/c1-14-9-20-10-15(21-14)11-23-7-2-3-16(23)12-25-18(26)5-4-17(22-25)24-8-6-19-13-24/h4-6,8-10,13,16H,2-3,7,11-12H2,1H3
InChIKeyBEJDKIKFCVNPCE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.19
Rot. Bonds5

About 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one

6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926534) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926534
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC Name6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESCc1cncc(CN2CCCC2Cn2nc(-n3ccnc3)ccc2=O)n1
InChIInChI=1S/C18H21N7O/c1-14-9-20-10-15(21-14)11-23-7-2-3-16(23)12-25-18(26)5-4-17(22-25)24-8-6-19-13-24/h4-6,8-10,13,16H,2-3,7,11-12H2,1H3
InChIKeyBEJDKIKFCVNPCE-UHFFFAOYSA-N
XLogP1.19
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926572
2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925818
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
2-[[1-[(3,5-difluorophenyl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926648
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926475
2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926525
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
2-[[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926660
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
2-[2-[(3-imidazol-1-yl-6-oxopyridazin-1-yl)methyl]pyrrolidin-1-yl]-3-methylquinazolin-4-one
CID 126926657

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one (CID 126926534) is 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is Cc1cncc(CN2CCCC2Cn2nc(-n3ccnc3)ccc2=O)n1.
What is the InChIKey of 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is BEJDKIKFCVNPCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-14-9-20-10-15(21-14)11-23-7-2-3-16(23)12-25-18(26)5-4-17(22-25)24-8-6-19-13-24/h4-6,8-10,13,16H,2-3,7,11-12H2,1H3.
What are the key properties of 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 351.41 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).