2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

C22H23N3O5 — CID 126925054

IUPAC2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCOc1cccc2cc(C(=O)N3CCCC3Cn3nc4c(cc3=O)COCC4)oc12
InChIInChI=1S/C22H23N3O5/c1-28-18-6-2-4-14-10-19(30-21(14)18)22(27)24-8-3-5-16(24)12-25-20(26)11-15-13-29-9-7-17(15)23-25/h2,4,6,10-11,16H,3,5,7-9,12-13H2,1H3
InChIKeyPVSVDVNLEMAVNL-UHFFFAOYSA-N
MW409.44 g/mol
LogP2.38
Rot. Bonds4

About 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one

2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126925054) has the molecular formula C22H23N3O5 and a molecular weight of 409.44 g/mol. Its IUPAC name is 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126925054
Molecular FormulaC22H23N3O5
Molecular Weight409.44 g/mol
Exact Mass409.16
IUPAC Name2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESCOc1cccc2cc(C(=O)N3CCCC3Cn3nc4c(cc3=O)COCC4)oc12
InChIInChI=1S/C22H23N3O5/c1-28-18-6-2-4-14-10-19(30-21(14)18)22(27)24-8-3-5-16(24)12-25-20(26)11-15-13-29-9-7-17(15)23-25/h2,4,6,10-11,16H,3,5,7-9,12-13H2,1H3
InChIKeyPVSVDVNLEMAVNL-UHFFFAOYSA-N
XLogP2.38
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925058
2-[[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925057
2-[[1-(5-tert-butyl-1H-pyrazole-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925085
2-[2-[4-(7-methoxy-1-benzofuran-2-carbonyl)piperazin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126914341
2-[[1-[2-(1,2-benzoxazol-3-yl)acetyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925075
N-(5-methyl-1,3-thiazol-2-yl)-2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidine-1-carboxamide
CID 126925089
2-[[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925271
N-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-7-methoxy-1-benzofuran-2-carboxamide
CID 71794719
2-[[1-(2-methylimidazo[1,2-a]pyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925277
2-[[1-(4-oxopyrido[1,2-a]pyrimidin-2-yl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925162
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925125
2-[[1-(2-methyl-3H-benzimidazole-5-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126925318

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126925054) is 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is COc1cccc2cc(C(=O)N3CCCC3Cn3nc4c(cc3=O)COCC4)oc12.
What is the InChIKey of 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is PVSVDVNLEMAVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5/c1-28-18-6-2-4-14-10-19(30-21(14)18)22(27)24-8-3-5-16(24)12-25-20(26)11-15-13-29-9-7-17(15)23-25/h2,4,6,10-11,16H,3,5,7-9,12-13H2,1H3.
What are the key properties of 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 409.44 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(7-methoxy-1-benzofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126925054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).