6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one

C23H32N6O2 — CID 126931560

IUPAC6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2cc3c(nn2)CCC3)nn1C1CCCCC1O
InChIInChI=1S/C23H32N6O2/c30-20-10-2-1-9-19(20)29-23(31)12-11-22(27-29)28-13-4-3-7-17(28)15-24-21-14-16-6-5-8-18(16)25-26-21/h11-12,14,17,19-20,30H,1-10,13,15H2,(H,24,26)
InChIKeyCAKDMGTVMNTPBW-UHFFFAOYSA-N
MW424.55 g/mol
LogP2.47
Rot. Bonds5

About 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one

6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one (PubChem CID 126931560) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
PubChem CID126931560
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
SMILESO=c1ccc(N2CCCCC2CNc2cc3c(nn2)CCC3)nn1C1CCCCC1O
InChIInChI=1S/C23H32N6O2/c30-20-10-2-1-9-19(20)29-23(31)12-11-22(27-29)28-13-4-3-7-17(28)15-24-21-14-16-6-5-8-18(16)25-26-21/h11-12,14,17,19-20,30H,1-10,13,15H2,(H,24,26)
InChIKeyCAKDMGTVMNTPBW-UHFFFAOYSA-N
XLogP2.47
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one with MolForge

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Related Compounds

6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360
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
6-[2-[[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one
CID 126931566
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-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-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
2-[2-[2-[(5,6,7,8-tetrahydrocinnolin-3-ylamino)methyl]piperidin-1-yl]ethyl]-6,7-dihydro-5H-cyclopenta[c]pyridazin-3-one
CID 126938134
2-(2-hydroxycyclopentyl)-6-[2-[[(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931463
2-(2-hydroxycyclopentyl)-6-[2-[[(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931412
2-(2-hydroxycyclohexyl)-6-[2-[(quinolin-4-ylamino)methyl]piperidin-1-yl]pyridazin-3-one
CID 126931570

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one?
The IUPAC name of 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one (CID 126931560) is 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one.
What is the SMILES notation for 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one?
The canonical SMILES for 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one is O=c1ccc(N2CCCCC2CNc2cc3c(nn2)CCC3)nn1C1CCCCC1O.
What is the InChIKey of 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one?
The InChIKey is CAKDMGTVMNTPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c30-20-10-2-1-9-19(20)29-23(31)12-11-22(27-29)28-13-4-3-7-17(28)15-24-21-14-16-6-5-8-18(16)25-26-21/h11-12,14,17,19-20,30H,1-10,13,15H2,(H,24,26).
What are the key properties of 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one?
6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one has a molecular weight of 424.55 g/mol, XLogP of 2.47, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-ylamino)methyl]piperidin-1-yl]-2-(2-hydroxycyclohexyl)pyridazin-3-one is sourced from PubChem (CID 126931560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).