2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C18H19N5O2 — CID 126924540

IUPAC2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1nncc3ccoc13)CCC2
InChIInChI=1S/C18H19N5O2/c24-16-9-12-3-1-5-15(12)21-23(16)11-14-4-2-7-22(14)18-17-13(6-8-25-17)10-19-20-18/h6,8-10,14H,1-5,7,11H2
InChIKeyRJERUACVLNJBRI-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.94
Rot. Bonds3

About 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924540) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924540
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1nncc3ccoc13)CCC2
InChIInChI=1S/C18H19N5O2/c24-16-9-12-3-1-5-15(12)21-23(16)11-14-4-2-7-22(14)18-17-13(6-8-25-17)10-19-20-18/h6,8-10,14H,1-5,7,11H2
InChIKeyRJERUACVLNJBRI-UHFFFAOYSA-N
XLogP1.94
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]pyridazin-3-one
CID 126923703
2-[[1-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924605
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126924997
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
2-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126925000
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924339
2-[[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924819
2-[[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924581
2-[[1-(1,2,5-thiadiazol-3-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924803
2-[[1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924752
2-[[1-(1,3-oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924840
2-[[1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924632

Frequently Asked Questions

What is the IUPAC name of 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924540) is 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1c1nncc3ccoc13)CCC2.
What is the InChIKey of 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is RJERUACVLNJBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-16-9-12-3-1-5-15(12)21-23(16)11-14-4-2-7-22(14)18-17-13(6-8-25-17)10-19-20-18/h6,8-10,14H,1-5,7,11H2.
What are the key properties of 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-furo[2,3-d]pyridazin-7-ylpyrrolidin-2-yl)methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).