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

C22H30N6O2 — CID 126931360

IUPAC6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ccc(C3CC3)nn2)nn1C1CCCC1O
InChIInChI=1S/C22H30N6O2/c29-19-6-3-5-18(19)28-22(30)12-11-21(26-28)27-13-2-1-4-16(27)14-23-20-10-9-17(24-25-20)15-7-8-15/h9-12,15-16,18-19,29H,1-8,13-14H2,(H,23,25)
InChIKeyNOBMYXDQQFIVDG-UHFFFAOYSA-N
MW410.52 g/mol
LogP2.47
Rot. Bonds6

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

6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one (PubChem CID 126931360) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
PubChem CID126931360
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC Name6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ccc(C3CC3)nn2)nn1C1CCCC1O
InChIInChI=1S/C22H30N6O2/c29-19-6-3-5-18(19)28-22(30)12-11-21(26-28)27-13-2-1-4-16(27)14-23-20-10-9-17(24-25-20)15-7-8-15/h9-12,15-16,18-19,29H,1-8,13-14H2,(H,23,25)
InChIKeyNOBMYXDQQFIVDG-UHFFFAOYSA-N
XLogP2.47
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566
6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931560
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 126931572
2-(2-hydroxycyclopentyl)-6-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931434
5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126931311
2-(2-hydroxycyclopentyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931370
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297

Frequently Asked Questions

What is the IUPAC name of 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The IUPAC name of 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one (CID 126931360) is 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The canonical SMILES for 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one is O=c1ccc(N2CCCCC2CNc2ccc(C3CC3)nn2)nn1C1CCCC1O.
What is the InChIKey of 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one?
The InChIKey is NOBMYXDQQFIVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c29-19-6-3-5-18(19)28-22(30)12-11-21(26-28)27-13-2-1-4-16(27)14-23-20-10-9-17(24-25-20)15-7-8-15/h9-12,15-16,18-19,29H,1-8,13-14H2,(H,23,25).
What are the key properties of 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one?
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one has a molecular weight of 410.52 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one is sourced from PubChem (CID 126931360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).