2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C19H22N6O — CID 126925868

IUPAC2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CC1CCCN1CCn1ccnc1
InChIInChI=1S/C19H22N6O/c26-19-6-5-18(16-3-1-7-20-13-16)22-25(19)14-17-4-2-9-24(17)12-11-23-10-8-21-15-23/h1,3,5-8,10,13,15,17H,2,4,9,11-12,14H2
InChIKeyPAHBHWWXHIJMSY-UHFFFAOYSA-N
MW350.43 g/mol
LogP1.67
Rot. Bonds6

About 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126925868) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126925868
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1CC1CCCN1CCn1ccnc1
InChIInChI=1S/C19H22N6O/c26-19-6-5-18(16-3-1-7-20-13-16)22-25(19)14-17-4-2-9-24(17)12-11-23-10-8-21-15-23/h1,3,5-8,10,13,15,17H,2,4,9,11-12,14H2
InChIKeyPAHBHWWXHIJMSY-UHFFFAOYSA-N
XLogP1.67
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925824
2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925818
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925883
2-[[1-[(2-cyclopropylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925827
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924917
6-cyclopropyl-2-[[1-[2-(2-oxopyrazin-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923609
2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
6-pyridin-4-yl-2-[[1-[2-(triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926226
3-methyl-2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrido[3,4-d]pyrimidin-4-one
CID 126925989
2-[[1-(6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-3-ylmethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925810
6-pyridin-4-yl-2-[[1-[2-(1,2,4-triazol-1-yl)ethyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926229

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126925868) is 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is O=c1ccc(-c2cccnc2)nn1CC1CCCN1CCn1ccnc1.
What is the InChIKey of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is PAHBHWWXHIJMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c26-19-6-5-18(16-3-1-7-20-13-16)22-25(19)14-17-4-2-9-24(17)12-11-23-10-8-21-15-23/h1,3,5-8,10,13,15,17H,2,4,9,11-12,14H2.
What are the key properties of 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 350.43 g/mol, XLogP of 1.67, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126925868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).