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

C17H19ClN4O2 — CID 126925102

IUPAC2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccncc1Cl)CCOC2
InChIInChI=1S/C17H19ClN4O2/c18-14-9-19-5-3-16(14)21-6-1-2-13(21)10-22-17(23)8-12-11-24-7-4-15(12)20-22/h3,5,8-9,13H,1-2,4,6-7,10-11H2
InChIKeyQWRYWZIRZPJYCB-UHFFFAOYSA-N
MW346.82 g/mol
LogP2.03
Rot. Bonds3

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

2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (PubChem CID 126925102) has the molecular formula C17H19ClN4O2 and a molecular weight of 346.82 g/mol. Its IUPAC name is 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
PubChem CID126925102
Molecular FormulaC17H19ClN4O2
Molecular Weight346.82 g/mol
Exact Mass346.12
IUPAC Name2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
SMILESO=c1cc2c(nn1CC1CCCN1c1ccncc1Cl)CCOC2
InChIInChI=1S/C17H19ClN4O2/c18-14-9-19-5-3-16(14)21-6-1-2-13(21)10-22-17(23)8-12-11-24-7-4-15(12)20-22/h3,5,8-9,13H,1-2,4,6-7,10-11H2
InChIKeyQWRYWZIRZPJYCB-UHFFFAOYSA-N
XLogP2.03
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.82
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 126925099
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-cyclopentylacetyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925057
2-[[1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925093
2-[4-[(3-chloro-4-pyridinyl)amino]cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936009
2-[[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925182
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-cyclobutylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925177
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925194
2-[(1-quinolin-4-ylpyrrolidin-2-yl)methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924815
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

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The IUPAC name of 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one (CID 126925102) is 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The canonical SMILES for 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is O=c1cc2c(nn1CC1CCCN1c1ccncc1Cl)CCOC2.
What is the InChIKey of 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
The InChIKey is QWRYWZIRZPJYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2/c18-14-9-19-5-3-16(14)21-6-1-2-13(21)10-22-17(23)8-12-11-24-7-4-15(12)20-22/h3,5,8-9,13H,1-2,4,6-7,10-11H2.
What are the key properties of 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one?
2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one has a molecular weight of 346.82 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one is sourced from PubChem (CID 126925102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).