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

C25H26N4O3 — CID 121394968

IUPAC6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CNC4)cc2C3)[nH]1
InChIInChI=1S/C25H26N4O3/c30-24-13-20(29-6-8-31-9-7-29)12-22(28-24)21-3-1-2-16-10-17-11-18(27-19-14-26-15-19)4-5-23(17)32-25(16)21/h1-5,11-13,19,26-27H,6-10,14-15H2,(H,28,30)
InChIKeyYWLDIDRGYCEWQA-UHFFFAOYSA-N
MW430.51 g/mol
LogP2.96
Rot. Bonds4

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

6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394968) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394968
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CNC4)cc2C3)[nH]1
InChIInChI=1S/C25H26N4O3/c30-24-13-20(29-6-8-31-9-7-29)12-22(28-24)21-3-1-2-16-10-17-11-18(27-19-14-26-15-19)4-5-23(17)32-25(16)21/h1-5,11-13,19,26-27H,6-10,14-15H2,(H,28,30)
InChIKeyYWLDIDRGYCEWQA-UHFFFAOYSA-N
XLogP2.96
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[7-[(1-methylazepan-4-yl)amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394269
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-(thiophen-2-ylmethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121467771
4-morpholin-4-yl-6-[7-[[1-(2-phenylethyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121393955
4-morpholin-4-yl-6-[7-[[1-(pyridin-3-ylmethyl)azetidin-3-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121395222
4-morpholin-4-yl-6-[7-(pyridin-4-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394374
tert-butyl 4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]azepane-1-carboxylate
CID 121394579
6-[7-[[1-[(2-methoxy-3-pyridinyl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393879
6-[7-[[1-[(6-methoxypyrazin-2-yl)methyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393856
4-morpholin-4-yl-6-[7-(pyridazin-3-ylmethylamino)-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 121394561
6-[7-[[1-[2-(4-aminophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[[1-[2-[4-(2-oxopropyl)phenyl]ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-1H-pyridin-2-one
CID 162147273
ethyl 2-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]propanoate
CID 121394846

Frequently Asked Questions

What is the IUPAC name of 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394968) is 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CNC4)cc2C3)[nH]1.
What is the InChIKey of 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is YWLDIDRGYCEWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24-13-20(29-6-8-31-9-7-29)12-22(28-24)21-3-1-2-16-10-17-11-18(27-19-14-26-15-19)4-5-23(17)32-25(16)21/h1-5,11-13,19,26-27H,6-10,14-15H2,(H,28,30).
What are the key properties of 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 430.51 g/mol, XLogP of 2.96, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(azetidin-3-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).