2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

C21H25N7O — CID 126926538

IUPAC2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1
InChIInChI=1S/C21H25N7O/c29-20-7-6-19(27-10-8-22-15-27)25-28(20)14-18-5-2-9-26(18)13-16-11-23-21(24-12-16)17-3-1-4-17/h6-8,10-12,15,17-18H,1-5,9,13-14H2
InChIKeyBKWUCCDTDJNSNA-UHFFFAOYSA-N
MW391.48 g/mol
LogP2.15
Rot. Bonds6

About 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 126926538) has the molecular formula C21H25N7O and a molecular weight of 391.48 g/mol. Its IUPAC name is 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID126926538
Molecular FormulaC21H25N7O
Molecular Weight391.48 g/mol
Exact Mass391.21
IUPAC Name2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1
InChIInChI=1S/C21H25N7O/c29-20-7-6-19(27-10-8-22-15-27)25-28(20)14-18-5-2-9-26(18)13-16-11-23-21(24-12-16)17-3-1-4-17/h6-8,10-12,15,17-18H,1-5,9,13-14H2
InChIKeyBKWUCCDTDJNSNA-UHFFFAOYSA-N
XLogP2.15
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one with MolForge

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Related Compounds

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-cyclopropylpyridazin-3-one
CID 126923616
6-imidazol-1-yl-2-[[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926545
6-imidazol-1-yl-2-[[1-[(6-methylpyrazin-2-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926534
2-[[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926475
6-imidazol-1-yl-2-[(1-pyrazin-2-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126926440
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-(cyclopentanecarbonyl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926381
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]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925456
2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925824
2-[[1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
CID 126926503

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (CID 126926538) is 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CC1CCCN1Cc1cnc(C2CCC2)nc1.
What is the InChIKey of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is BKWUCCDTDJNSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O/c29-20-7-6-19(27-10-8-22-15-27)25-28(20)14-18-5-2-9-26(18)13-16-11-23-21(24-12-16)17-3-1-4-17/h6-8,10-12,15,17-18H,1-5,9,13-14H2.
What are the key properties of 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 391.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-cyclobutylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126926538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).