6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

C30H35FN4O3 — CID 121394297

IUPAC6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCCF)CC4)cc2C3)[nH]1
InChIInChI=1S/C30H35FN4O3/c31-9-2-10-34-11-7-23(8-12-34)32-24-5-6-28-22(18-24)17-21-3-1-4-26(30(21)38-28)27-19-25(20-29(36)33-27)35-13-15-37-16-14-35/h1,3-6,18-20,23,32H,2,7-17H2,(H,33,36)
InChIKeyRTHRYDICRFNCET-UHFFFAOYSA-N
MW518.63 g/mol
LogP4.81
Rot. Bonds7

About 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one

6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394297) has the molecular formula C30H35FN4O3 and a molecular weight of 518.63 g/mol. Its IUPAC name is 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394297
Molecular FormulaC30H35FN4O3
Molecular Weight518.63 g/mol
Exact Mass518.27
IUPAC Name6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCCF)CC4)cc2C3)[nH]1
InChIInChI=1S/C30H35FN4O3/c31-9-2-10-34-11-7-23(8-12-34)32-24-5-6-28-22(18-24)17-21-3-1-4-26(30(21)38-28)27-19-25(20-29(36)33-27)35-13-15-37-16-14-35/h1,3-6,18-20,23,32H,2,7-17H2,(H,33,36)
InChIKeyRTHRYDICRFNCET-UHFFFAOYSA-N
XLogP4.81
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.63
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-(2-(7-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)-6-oxopiperazin-2-yl)methoxy)-2,3,4,4a-tetrahydroquinolin-1(8aH)-yl)ethyl)acetamide
CID 52944649
N-(2-(7-(((R)-1-(4-(3-(2-methoxybenzyloxy)propoxy)phenyl)piperazin-2-yl)methoxy)-2,3,4,4a-tetrahydroquinolin-1(8aH)-yl)ethyl)acetamide
CID 52949576
(R)-6-(4-Fluoro-3-methyl-benzyloxymethyl)-1-{4-[3-(2-methoxy-benzyloxy)-propoxy]-phenyl}-piperazin-2-one
CID 44402903
(R)-1-{4-[3-(2-Methoxy-benzyloxy)-propoxy]-phenyl}-6-(3-trifluoromethyl-benzyloxymethyl)-piperazin-2-one
CID 44402908
US10233152, Example 25
CID 129279681
US10233152, Example 26
CID 129279813
(E)-3-(2-methoxyphenyl)-N-[(1S)-1-(3-morpholin-4-ylphenyl)ethyl]prop-2-enamide
CID 11233922
(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
CID 11245533
N-[3-[[(2-benzhydryl-1-azabicyclo[2.2.2]octan-3-yl)amino]methyl]-4-methoxyphenyl]-2,2,2-trifluoroacetamide
CID 19696563
N-(6,6a,7,12a-tetrahydrochromeno[4,3-b]chromen-2-yl)-2-morpholino-acetamide
CID 387596
3-(3,4-Dihydro-2H-1-benzopyran-3-YL)-1-{3-[4-(2-fluorophenyl)piperazin-1-YL]propyl}urea
CID 22580825
3-(3,4-Dihydro-2H-1-benzopyran-3-YL)-1-{2-[4-(2-fluorophenyl)piperazin-1-YL]ethyl}urea
CID 22580835

Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394297) is 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCCF)CC4)cc2C3)[nH]1.
What is the InChIKey of 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is RTHRYDICRFNCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O3/c31-9-2-10-34-11-7-23(8-12-34)32-24-5-6-28-22(18-24)17-21-3-1-4-26(30(21)38-28)27-19-25(20-29(36)33-27)35-13-15-37-16-14-35/h1,3-6,18-20,23,32H,2,7-17H2,(H,33,36).
What are the key properties of 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 518.63 g/mol, XLogP of 4.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-(3-fluoropropyl)piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).