2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C18H19N5O2 — CID 126925099

IUPAC2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1Cn1nc2c(cc1=O)COCC2
InChIInChI=1S/C18H19N5O2/c19-10-13-3-1-6-20-18(13)22-7-2-4-15(22)11-23-17(24)9-14-12-25-8-5-16(14)21-23/h1,3,6,9,15H,2,4-5,7-8,11-12H2
InChIKeySKXRLSJCBXZBCO-UHFFFAOYSA-N
MW337.38 g/mol
LogP1.25
Rot. Bonds3

About 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile

2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 126925099) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID126925099
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1N1CCCC1Cn1nc2c(cc1=O)COCC2
InChIInChI=1S/C18H19N5O2/c19-10-13-3-1-6-20-18(13)22-7-2-4-15(22)11-23-17(24)9-14-12-25-8-5-16(14)21-23/h1,3,6,9,15H,2,4-5,7-8,11-12H2
InChIKeySKXRLSJCBXZBCO-UHFFFAOYSA-N
XLogP1.25
TPSA84.04 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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1-(3-chloro-4-pyridinyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925102
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-[2-[(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)methyl]pyrrolidin-1-yl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile
CID 126925000
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-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925125
2-[(2S)-2-[[(2R,6S)-2,6-dimethylmorpholin-4-yl]methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 99714406
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-(2-cyclopentylacetyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925057
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-(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-[[1-(5-bromofuran-2-carbonyl)pyrrolidin-2-yl]methyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126925058
2-[2-[(6-oxo-3-pyridin-3-ylpyridazin-1-yl)methyl]pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126925944

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 126925099) is 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is N#Cc1cccnc1N1CCCC1Cn1nc2c(cc1=O)COCC2.
What is the InChIKey of 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is SKXRLSJCBXZBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c19-10-13-3-1-6-20-18(13)22-7-2-4-15(22)11-23-17(24)9-14-12-25-8-5-16(14)21-23/h1,3,6,9,15H,2,4-5,7-8,11-12H2.
What are the key properties of 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 337.38 g/mol, XLogP of 1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-oxo-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-2-yl)methyl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 126925099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).