1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole

C20H28N6O — CID 126893466

IUPAC1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
SMILESCn1ncc2c1CCOC2CN1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-23-18-5-11-27-19(17(18)12-22-23)15-24-13-16(14-24)25-7-9-26(10-8-25)20-4-2-3-6-21-20/h2-4,6,12,16,19H,5,7-11,13-15H2,1H3
InChIKeyZOLPGHFFVIRIEQ-UHFFFAOYSA-N
MW368.49 g/mol
LogP0.94
Rot. Bonds4

About 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole

1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole (PubChem CID 126893466) has the molecular formula C20H28N6O and a molecular weight of 368.49 g/mol. Its IUPAC name is 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole.

Molecular Properties

Compound Name1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
PubChem CID126893466
Molecular FormulaC20H28N6O
Molecular Weight368.49 g/mol
Exact Mass368.23
IUPAC Name1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole
SMILESCn1ncc2c1CCOC2CN1CC(N2CCN(c3ccccn3)CC2)C1
InChIInChI=1S/C20H28N6O/c1-23-18-5-11-27-19(17(18)12-22-23)15-24-13-16(14-24)25-7-9-26(10-8-25)20-4-2-3-6-21-20/h2-4,6,12,16,19H,5,7-11,13-15H2,1H3
InChIKeyZOLPGHFFVIRIEQ-UHFFFAOYSA-N
XLogP0.94
TPSA49.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.49
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole with MolForge

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Launch Full Analysis

Related Compounds

2-methyl-5-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridazin-3-one
CID 126893477
1-[1-[(2-methyltriazol-4-yl)methyl]azetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893462
1-pyridin-2-yl-4-[1-[2-(triazol-2-yl)ethyl]azetidin-3-yl]piperazine
CID 126893461
1-[(5,6-dimethoxy-3,4-dihydro-1H-isochromen-1-yl)methyl]-4-pyridin-2-ylpiperazine
CID 12828463
5-cyclopropyl-2-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-1,3-oxazole
CID 126893542
3-(4-pyridin-2-ylpiperazin-1-yl)azetidine-1-carbaldehyde
CID 123583794
bis(1-[(7,8-dimethoxy-1,3,4,5-tetrahydro-2-benzoxepin-1-yl)methyl]-4-pyridin-2-ylpiperazine);hydrate;dihydrochloride
CID 70488030
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]pyridin-2-one
CID 126893507
6-methyl-3-[2-[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]ethyl]pyrimidin-4-one
CID 126893492
1-[1-(1-methylpyrazol-4-yl)sulfonylazetidin-3-yl]-4-pyridin-2-ylpiperazine
CID 126893449
1-(1-cyclohexylazetidin-3-yl)-4-pyridin-2-ylpiperazine
CID 126893395
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The IUPAC name of 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole (CID 126893466) is 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole.
What is the SMILES notation for 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The canonical SMILES for 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole is Cn1ncc2c1CCOC2CN1CC(N2CCN(c3ccccn3)CC2)C1.
What is the InChIKey of 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
The InChIKey is ZOLPGHFFVIRIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O/c1-23-18-5-11-27-19(17(18)12-22-23)15-24-13-16(14-24)25-7-9-26(10-8-25)20-4-2-3-6-21-20/h2-4,6,12,16,19H,5,7-11,13-15H2,1H3.
What are the key properties of 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole?
1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole has a molecular weight of 368.49 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[3-(4-pyridin-2-ylpiperazin-1-yl)azetidin-1-yl]methyl]-6,7-dihydro-4H-pyrano[3,4-d]pyrazole is sourced from PubChem (CID 126893466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).