2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

C19H21N7O — CID 126926498

IUPAC2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cc2c(nn1)CCC2
InChIInChI=1S/C19H21N7O/c27-19-7-6-17(24-10-8-20-13-24)23-26(19)12-15-4-2-9-25(15)18-11-14-3-1-5-16(14)21-22-18/h6-8,10-11,13,15H,1-5,9,12H2
InChIKeyWYWRPPQBEXHZOE-UHFFFAOYSA-N
MW363.43 g/mol
LogP1.38
Rot. Bonds4

About 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one

2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 126926498) has the molecular formula C19H21N7O and a molecular weight of 363.43 g/mol. Its IUPAC name is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID126926498
Molecular FormulaC19H21N7O
Molecular Weight363.43 g/mol
Exact Mass363.18
IUPAC Name2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cc2c(nn1)CCC2
InChIInChI=1S/C19H21N7O/c27-19-7-6-17(24-10-8-20-13-24)23-26(19)12-15-4-2-9-25(15)18-11-14-3-1-5-16(14)21-22-18/h6-8,10-11,13,15H,1-5,9,12H2
InChIKeyWYWRPPQBEXHZOE-UHFFFAOYSA-N
XLogP1.38
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one (CID 126926498) is 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CC1CCCN1c1cc2c(nn1)CCC2.
What is the InChIKey of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is WYWRPPQBEXHZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N7O/c27-19-7-6-17(24-10-8-20-13-24)23-26(19)12-15-4-2-9-25(15)18-11-14-3-1-5-16(14)21-22-18/h6-8,10-11,13,15H,1-5,9,12H2.
What are the key properties of 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one?
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 363.43 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)pyrrolidin-2-yl]methyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 126926498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).