2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

C22H24N6O2 — CID 126925991

IUPAC2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nccn1CC1CC1
InChIInChI=1S/C22H24N6O2/c29-20-8-7-19(17-3-1-9-23-13-17)25-28(20)15-18-4-2-11-27(18)21-22(30)26(12-10-24-21)14-16-5-6-16/h1,3,7-10,12-13,16,18H,2,4-6,11,14-15H2
InChIKeyXVTYDUDTJSCLBB-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.94
Rot. Bonds6

About 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one

2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126925991) has the molecular formula C22H24N6O2 and a molecular weight of 404.47 g/mol. Its IUPAC name is 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126925991
Molecular FormulaC22H24N6O2
Molecular Weight404.47 g/mol
Exact Mass404.20
IUPAC Name2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nccn1CC1CC1
InChIInChI=1S/C22H24N6O2/c29-20-8-7-19(17-3-1-9-23-13-17)25-28(20)15-18-4-2-11-27(18)21-22(30)26(12-10-24-21)14-16-5-6-16/h1,3,7-10,12-13,16,18H,2,4-6,11,14-15H2
InChIKeyXVTYDUDTJSCLBB-UHFFFAOYSA-N
XLogP1.94
TPSA85.91 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one with MolForge

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Related Compounds

2-[[1-(5-cyclopropylpyrimidin-2-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925926
6-pyridin-3-yl-2-[(1-thieno[2,3-d]pyrimidin-4-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126925767
2-[[1-(1-methyl-6-oxopyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925964
2-[[1-(1,6-dimethylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925768
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
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126926087
2-[[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925916
1,5-dimethyl-6-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]pyrazolo[5,4-d]pyrimidin-4-one
CID 126925970
2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126925944
2-[[1-(2-imidazol-1-ylethyl)pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925868
2-[[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925824
2-[[1-[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one
CID 126925948

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one (CID 126925991) is 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is O=c1c(N2CCCC2Cn2nc(-c3cccnc3)ccc2=O)nccn1CC1CC1.
What is the InChIKey of 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is XVTYDUDTJSCLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O2/c29-20-8-7-19(17-3-1-9-23-13-17)25-28(20)15-18-4-2-11-27(18)21-22(30)26(12-10-24-21)14-16-5-6-16/h1,3,7-10,12-13,16,18H,2,4-6,11,14-15H2.
What are the key properties of 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one?
2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 404.47 g/mol, XLogP of 1.94, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]methyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126925991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).