2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

C20H27N5O3 — CID 126924473

IUPAC2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1Cc1noc(C3CCOCC3)n1)CCC2
InChIInChI=1S/C20H27N5O3/c26-19-11-15-3-1-5-17(15)22-25(19)12-16-4-2-8-24(16)13-18-21-20(28-23-18)14-6-9-27-10-7-14/h11,14,16H,1-10,12-13H2
InChIKeyQVCOVYNOYAMSSE-UHFFFAOYSA-N
MW385.47 g/mol
LogP1.67
Rot. Bonds5

About 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one

2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (PubChem CID 126924473) has the molecular formula C20H27N5O3 and a molecular weight of 385.47 g/mol. Its IUPAC name is 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
PubChem CID126924473
Molecular FormulaC20H27N5O3
Molecular Weight385.47 g/mol
Exact Mass385.21
IUPAC Name2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1Cc1noc(C3CCOCC3)n1)CCC2
InChIInChI=1S/C20H27N5O3/c26-19-11-15-3-1-5-17(15)22-25(19)12-16-4-2-8-24(16)13-18-21-20(28-23-18)14-6-9-27-10-7-14/h11,14,16H,1-10,12-13H2
InChIKeyQVCOVYNOYAMSSE-UHFFFAOYSA-N
XLogP1.67
TPSA86.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.47
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one with MolForge

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Related Compounds

2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126864925
2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925475
2-[2-[4-[[5-(oxolan-3-yl)-1,2,4-oxadiazol-3-yl]methyl]piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914582
2-[[1-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126928743
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,3]oxazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924912
2-[[1-(cyclopentylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924590
2-[[1-[(5-cyclopropyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924496
2-[[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924459
6-tert-butyl-2-[[1-[(5-cyclobutyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126924061
2-[[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924938
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126924363
2-[[1-[(5-methyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924784

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The IUPAC name of 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one (CID 126924473) is 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The canonical SMILES for 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1Cc1noc(C3CCOCC3)n1)CCC2.
What is the InChIKey of 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
The InChIKey is QVCOVYNOYAMSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O3/c26-19-11-15-3-1-5-17(15)22-25(19)12-16-4-2-8-24(16)13-18-21-20(28-23-18)14-6-9-27-10-7-14/h11,14,16H,1-10,12-13H2.
What are the key properties of 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one?
2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one has a molecular weight of 385.47 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(oxan-4-yl)-1,2,4-oxadiazol-3-yl]methyl]pyrrolidin-2-yl]methyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one is sourced from PubChem (CID 126924473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).