6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C27H30N4O2S2 — CID 154407591

IUPAC6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN1CCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1
InChIInChI=1S/C27H30N4O2S2/c1-30-9-7-18(8-10-30)28-19-5-6-23-25(15-19)34-24-4-2-3-21(27(24)35-23)22-16-20(17-26(32)29-22)31-11-13-33-14-12-31/h2-6,15-18,28H,7-14H2,1H3,(H,29,32)
InChIKeyLSIDPYUULYQHSF-UHFFFAOYSA-N
MW506.70 g/mol
LogP5.00
Rot. Bonds4

About 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 154407591) has the molecular formula C27H30N4O2S2 and a molecular weight of 506.70 g/mol. Its IUPAC name is 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID154407591
Molecular FormulaC27H30N4O2S2
Molecular Weight506.70 g/mol
Exact Mass506.18
IUPAC Name6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESCN1CCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1
InChIInChI=1S/C27H30N4O2S2/c1-30-9-7-18(8-10-30)28-19-5-6-23-25(15-19)34-24-4-2-3-21(27(24)35-23)22-16-20(17-26(32)29-22)31-11-13-33-14-12-31/h2-6,15-18,28H,7-14H2,1H3,(H,29,32)
InChIKeyLSIDPYUULYQHSF-UHFFFAOYSA-N
XLogP5.00
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.70
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one with MolForge

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Related Compounds

6-[7-[(1-cyclohexylpyrrolidin-3-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121395145
6-[7-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-(piperidin-4-ylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 161176338
6-[7-[[(2S)-1-methylpyrrolidin-2-yl]methylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394520
6-[7-[4-(4-methylpiperazin-1-yl)butan-2-ylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121468101
4-morpholin-4-yl-6-[7-(2-morpholin-4-ylethylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 121394899
6-[7-[(2-chlorocyclohexyl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one;4-morpholin-4-yl-6-[7-[(2-morpholin-4-ylcyclohexyl)amino]thianthren-1-yl]-1H-pyridin-2-one
CID 158260107
6-[7-[2-(4-methoxypiperidin-1-yl)ethylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121393966
4-morpholin-4-yl-6-[7-[[(3S)-3-morpholin-4-ylbutan-2-yl]amino]thianthren-1-yl]-1H-pyridin-2-one
CID 121394224
6-[7-(1,3-dichloropropan-2-ylamino)thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394567
4-morpholin-4-yl-6-[7-(4-morpholin-4-ylbutan-2-ylamino)thianthren-1-yl]-1H-pyridin-2-one
CID 121394592
6-[7-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethylamino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one
CID 121394369
4-morpholin-4-yl-6-[7-[[(3S)-3-morpholin-4-ylpentan-2-yl]amino]thianthren-1-yl]-1H-pyridin-2-one
CID 121395173

Frequently Asked Questions

What is the IUPAC name of 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 154407591) is 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one is CN1CCC(Nc2ccc3c(c2)Sc2cccc(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2S3)CC1.
What is the InChIKey of 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is LSIDPYUULYQHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2S2/c1-30-9-7-18(8-10-30)28-19-5-6-23-25(15-19)34-24-4-2-3-21(27(24)35-23)22-16-20(17-26(32)29-22)31-11-13-33-14-12-31/h2-6,15-18,28H,7-14H2,1H3,(H,29,32).
What are the key properties of 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 506.70 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[(1-methylpiperidin-4-yl)amino]thianthren-1-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 154407591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).