6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

C20H25N7O — CID 126926572

IUPAC6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2c(n1)CCCC2
InChIInChI=1S/C20H25N7O/c28-20-7-6-19(26-11-8-21-15-26)23-27(20)14-17-4-3-10-24(17)12-16-13-25-9-2-1-5-18(25)22-16/h6-8,11,13,15,17H,1-5,9-10,12,14H2
InChIKeyQUPZMAVIXDNJTC-UHFFFAOYSA-N
MW379.47 g/mol
LogP1.63
Rot. Bonds5

About 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one

6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one (PubChem CID 126926572) has the molecular formula C20H25N7O and a molecular weight of 379.47 g/mol. Its IUPAC name is 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
PubChem CID126926572
Molecular FormulaC20H25N7O
Molecular Weight379.47 g/mol
Exact Mass379.21
IUPAC Name6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2c(n1)CCCC2
InChIInChI=1S/C20H25N7O/c28-20-7-6-19(26-11-8-21-15-26)23-27(20)14-17-4-3-10-24(17)12-16-13-25-9-2-1-5-18(25)22-16/h6-8,11,13,15,17H,1-5,9-10,12,14H2
InChIKeyQUPZMAVIXDNJTC-UHFFFAOYSA-N
XLogP1.63
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
2-[[1-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926525
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-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926538
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-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
6-pyrazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126864509
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926498
6-imidazol-1-yl-2-[[1-(2-phenyltriazole-4-carbonyl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926376
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926660

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The IUPAC name of 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) is 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cn2c(n1)CCCC2.
What is the InChIKey of 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
The InChIKey is QUPZMAVIXDNJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O/c28-20-7-6-19(26-11-8-21-15-26)23-27(20)14-17-4-3-10-24(17)12-16-13-25-9-2-1-5-18(25)22-16/h6-8,11,13,15,17H,1-5,9-10,12,14H2.
What are the key properties of 6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one?
6-imidazol-1-yl-2-[[1-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one has a molecular weight of 379.47 g/mol, XLogP of 1.63, 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-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-2-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126926572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).