2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

C23H39N5O2 — CID 126931396

IUPAC2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)CC1
InChIInChI=1S/C23H39N5O2/c1-17(2)26-14-11-18(12-15-26)24-16-19-6-3-4-13-27(19)22-9-10-23(30)28(25-22)20-7-5-8-21(20)29/h9-10,17-21,24,29H,3-8,11-16H2,1-2H3
InChIKeyIXZDARHMQISYQR-UHFFFAOYSA-N
MW417.60 g/mol
LogP2.15
Rot. Bonds6

About 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one

2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126931396) has the molecular formula C23H39N5O2 and a molecular weight of 417.60 g/mol. Its IUPAC name is 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126931396
Molecular FormulaC23H39N5O2
Molecular Weight417.60 g/mol
Exact Mass417.31
IUPAC Name2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
SMILESCC(C)N1CCC(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)CC1
InChIInChI=1S/C23H39N5O2/c1-17(2)26-14-11-18(12-15-26)24-16-19-6-3-4-13-27(19)22-9-10-23(30)28(25-22)20-7-5-8-21(20)29/h9-10,17-21,24,29H,3-8,11-16H2,1-2H3
InChIKeyIXZDARHMQISYQR-UHFFFAOYSA-N
XLogP2.15
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.60
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one with MolForge

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Related Compounds

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
2-(2-hydroxycyclopentyl)-6-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931434
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 126931572
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297
2-(2-hydroxycyclohexyl)-6-[2-[[(2-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931651
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one (CID 126931396) is 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is CC(C)N1CCC(NCC2CCCCN2c2ccc(=O)n(C3CCCC3O)n2)CC1.
What is the InChIKey of 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is IXZDARHMQISYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H39N5O2/c1-17(2)26-14-11-18(12-15-26)24-16-19-6-3-4-13-27(19)22-9-10-23(30)28(25-22)20-7-5-8-21(20)29/h9-10,17-21,24,29H,3-8,11-16H2,1-2H3.
What are the key properties of 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one?
2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 417.60 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126931396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).