2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one

C21H21ClN4O3 — CID 126940339

IUPAC2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOc1cccc(CNC2COCC2n2nc(-c3ccncc3)ccc2=O)c1Cl
InChIInChI=1S/C21H21ClN4O3/c1-28-19-4-2-3-15(21(19)22)11-24-17-12-29-13-18(17)26-20(27)6-5-16(25-26)14-7-9-23-10-8-14/h2-10,17-18,24H,11-13H2,1H3
InChIKeyOIDUOYPGZWXCMK-UHFFFAOYSA-N
MW412.88 g/mol
LogP2.70
Rot. Bonds6

About 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126940339) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126940339
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOc1cccc(CNC2COCC2n2nc(-c3ccncc3)ccc2=O)c1Cl
InChIInChI=1S/C21H21ClN4O3/c1-28-19-4-2-3-15(21(19)22)11-24-17-12-29-13-18(17)26-20(27)6-5-16(25-26)14-7-9-23-10-8-14/h2-10,17-18,24H,11-13H2,1H3
InChIKeyOIDUOYPGZWXCMK-UHFFFAOYSA-N
XLogP2.70
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one with MolForge

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Related Compounds

2-[4-(cyclopropylmethylamino)oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940299
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
6-(3-methoxyphenyl)-2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]oxolan-3-yl]pyridazin-3-one
CID 126939964
7-methoxy-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)oxolan-3-yl]-1-benzofuran-2-carboxamide
CID 126940029
6-pyridin-4-yl-2-[4-(pyrido[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940401
2-[4-[(1-hydroxycyclohexyl)methylamino]oxolan-3-yl]-6-(3-methoxyphenyl)pyridazin-3-one
CID 126940022
N-[4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]oxolan-3-yl]pyrazine-2-carboxamide
CID 126939844
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
6-pyridin-4-yl-2-[4-(thieno[2,3-d]pyrimidin-4-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940310
6-(3-methoxyphenyl)-2-[4-[(4-methylpyrimidin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939935
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939070
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937300

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one (CID 126940339) is 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one is COc1cccc(CNC2COCC2n2nc(-c3ccncc3)ccc2=O)c1Cl.
What is the InChIKey of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is OIDUOYPGZWXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-28-19-4-2-3-15(21(19)22)11-24-17-12-29-13-18(17)26-20(27)6-5-16(25-26)14-7-9-23-10-8-14/h2-10,17-18,24H,11-13H2,1H3.
What are the key properties of 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 412.88 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126940339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).