6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one

C24H23N5O — CID 126936683

IUPAC6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C24H23N5O/c30-24-10-9-21(17-11-14-25-15-12-17)28-29(24)19-7-5-18(6-8-19)27-23-13-16-26-22-4-2-1-3-20(22)23/h1-4,9-16,18-19H,5-8H2,(H,26,27)
InChIKeyDNGXELACNWSBOB-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.45
Rot. Bonds4

About 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one

6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126936683) has the molecular formula C24H23N5O and a molecular weight of 397.48 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126936683
Molecular FormulaC24H23N5O
Molecular Weight397.48 g/mol
Exact Mass397.19
IUPAC Name6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ccnc3ccccc23)CC1
InChIInChI=1S/C24H23N5O/c30-24-10-9-21(17-11-14-25-15-12-17)28-29(24)19-7-5-18(6-8-19)27-23-13-16-26-22-4-2-1-3-20(22)23/h1-4,9-16,18-19H,5-8H2,(H,26,27)
InChIKeyDNGXELACNWSBOB-UHFFFAOYSA-N
XLogP4.45
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-(quinolin-4-ylamino)cyclohexyl]-7,8-dihydro-5H-pyrano[4,3-c]pyridazin-3-one
CID 126936054
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]morpholine-4-sulfonamide
CID 126936628
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one (CID 126936683) is 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CCC(Nc2ccnc3ccccc23)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is DNGXELACNWSBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O/c30-24-10-9-21(17-11-14-25-15-12-17)28-29(24)19-7-5-18(6-8-19)27-23-13-16-26-22-4-2-1-3-20(22)23/h1-4,9-16,18-19H,5-8H2,(H,26,27).
What are the key properties of 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one?
6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 397.48 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[4-(quinolin-4-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).