2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

C25H31N5O2 — CID 126931570

IUPAC2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ccnc3ccccc23)nn1C1CCCCC1O
InChIInChI=1S/C25H31N5O2/c31-23-11-4-3-10-22(23)30-25(32)13-12-24(28-30)29-16-6-5-7-18(29)17-27-21-14-15-26-20-9-2-1-8-19(20)21/h1-2,8-9,12-15,18,22-23,31H,3-7,10-11,16-17H2,(H,26,27)
InChIKeyYPCKJYXRGCPCPB-UHFFFAOYSA-N
MW433.56 g/mol
LogP3.74
Rot. Bonds5

About 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one

2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (PubChem CID 126931570) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
PubChem CID126931570
Molecular FormulaC25H31N5O2
Molecular Weight433.56 g/mol
Exact Mass433.25
IUPAC Name2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2ccnc3ccccc23)nn1C1CCCCC1O
InChIInChI=1S/C25H31N5O2/c31-23-11-4-3-10-22(23)30-25(32)13-12-24(28-30)29-16-6-5-7-18(29)17-27-21-14-15-26-20-9-2-1-8-19(20)21/h1-2,8-9,12-15,18,22-23,31H,3-7,10-11,16-17H2,(H,26,27)
InChIKeyYPCKJYXRGCPCPB-UHFFFAOYSA-N
XLogP3.74
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-hydroxycyclopentyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931370
2-(2-hydroxycyclopentyl)-6-[2-[[(2-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931356
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
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
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 126931572
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
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
2-(2-hydroxycyclopentyl)-6-[2-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931434
6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931560

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one (CID 126931570) is 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is O=c1ccc(N2CCCCC2CNc2ccnc3ccccc23)nn1C1CCCCC1O.
What is the InChIKey of 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
The InChIKey is YPCKJYXRGCPCPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c31-23-11-4-3-10-22(23)30-25(32)13-12-24(28-30)29-16-6-5-7-18(29)17-27-21-14-15-26-20-9-2-1-8-19(20)21/h1-2,8-9,12-15,18,22-23,31H,3-7,10-11,16-17H2,(H,26,27).
What are the key properties of 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one?
2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one has a molecular weight of 433.56 g/mol, XLogP of 3.74, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 126931570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).