2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C22H20N6O2 — CID 126929854

IUPAC2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCOC2
InChIInChI=1S/C22H20N6O2/c23-10-17-9-18-14-30-8-5-19(18)25-22(17)27-11-15(12-27)13-28-21(29)2-1-20(26-28)16-3-6-24-7-4-16/h1-4,6-7,9,15H,5,8,11-14H2
InChIKeyOTSQISXBEAPZLG-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.78
Rot. Bonds4

About 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 126929854) has the molecular formula C22H20N6O2 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID126929854
Molecular FormulaC22H20N6O2
Molecular Weight400.44 g/mol
Exact Mass400.16
IUPAC Name2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCOC2
InChIInChI=1S/C22H20N6O2/c23-10-17-9-18-14-30-8-5-19(18)25-22(17)27-11-15(12-27)13-28-21(29)2-1-20(26-28)16-3-6-24-7-4-16/h1-4,6-7,9,15H,5,8,11-14H2
InChIKeyOTSQISXBEAPZLG-UHFFFAOYSA-N
XLogP1.78
TPSA96.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

2-[4-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)ethyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carbonitrile
CID 126916016
2-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929722
2-[[1-(4-methyl-1,3-thiazol-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929900
2-[[1-(4-methylpyrimidin-2-yl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929734
6-pyridin-4-yl-2-[[1-[3-(trifluoromethyl)-2-pyridinyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126929664
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126892414
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
2-[[1-[2-(difluoromethyl)quinazolin-4-yl]azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929847
2-[4-(pyrimidin-4-ylamino)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 126887406
2-[3-[(3-cyclopropyl-6-oxopyridazin-1-yl)methyl]azetidin-1-yl]pyridine-3-carbonitrile
CID 126927306
2-(4,4-difluoropiperidin-1-yl)-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
CID 138988925
2-[[1-(azepan-1-ylsulfonyl)azetidin-3-yl]methyl]-6-pyridin-4-ylpyridazin-3-one
CID 126929740

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 126929854) is 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CC(Cn3nc(-c4ccncc4)ccc3=O)C1)CCOC2.
What is the InChIKey of 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is OTSQISXBEAPZLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N6O2/c23-10-17-9-18-14-30-8-5-19(18)25-22(17)27-11-15(12-27)13-28-21(29)2-1-20(26-28)16-3-6-24-7-4-16/h1-4,6-7,9,15H,5,8,11-14H2.
What are the key properties of 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 400.44 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(6-oxo-3-pyridin-4-ylpyridazin-1-yl)methyl]azetidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 126929854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).