4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

C27H25N5O3 — CID 121394561

IUPAC4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cccnn4)cc2C3)[nH]1
InChIInChI=1S/C27H25N5O3/c33-26-16-22(32-9-11-34-12-10-32)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)35-27(18)23)28-17-21-4-2-8-29-31-21/h1-8,14-16,28H,9-13,17H2,(H,30,33)
InChIKeyYVDPWEKASCAVRK-UHFFFAOYSA-N
MW467.53 g/mol
LogP3.98
Rot. Bonds5

About 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one

4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (PubChem CID 121394561) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
PubChem CID121394561
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cccnn4)cc2C3)[nH]1
InChIInChI=1S/C27H25N5O3/c33-26-16-22(32-9-11-34-12-10-32)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)35-27(18)23)28-17-21-4-2-8-29-31-21/h1-8,14-16,28H,9-13,17H2,(H,30,33)
InChIKeyYVDPWEKASCAVRK-UHFFFAOYSA-N
XLogP3.98
TPSA92.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
6-[7-[(5-methyl-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394784
6-[7-[(6-methoxy-2-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394781
6-[7-[(6-methylpyrazin-2-yl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395163
6-[7-[(6-chloro-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468024
6-[7-[[6-(methylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393969
5-[[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]methyl]pyridine-3-carbonitrile
CID 121394791
4-morpholin-4-yl-6-[7-[[5-(propan-2-ylamino)-3-pyridinyl]methylamino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467887
6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394968
6-[7-[(5-cyclopent-2-en-1-yl-3-pyridinyl)methylamino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121467604
4-morpholin-4-yl-6-[7-[(1-pyridin-3-ylpiperidin-4-yl)amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395298
4-morpholin-4-yl-6-[7-[[1-(pyridin-3-ylmethyl)azetidin-3-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395222

Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The IUPAC name of 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one (CID 121394561) is 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NCc4cccnn4)cc2C3)[nH]1.
What is the InChIKey of 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
The InChIKey is YVDPWEKASCAVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c33-26-16-22(32-9-11-34-12-10-32)15-24(30-26)23-5-1-3-18-13-19-14-20(6-7-25(19)35-27(18)23)28-17-21-4-2-8-29-31-21/h1-8,14-16,28H,9-13,17H2,(H,30,33).
What are the key properties of 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one?
4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one has a molecular weight of 467.53 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one is sourced from PubChem (CID 121394561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).