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

C35H37FN4O3 — CID 121394153

IUPAC6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccc(F)cc5)CC4)cc2C3)[nH]1
InChIInChI=1S/C35H37FN4O3/c36-27-6-4-24(5-7-27)10-13-39-14-11-28(12-15-39)37-29-8-9-33-26(21-29)20-25-2-1-3-31(35(25)43-33)32-22-30(23-34(41)38-32)40-16-18-42-19-17-40/h1-9,21-23,28,37H,10-20H2,(H,38,41)
InChIKeyKCCGVVBXBVQRMQ-UHFFFAOYSA-N
MW580.70 g/mol
LogP5.83
Rot. Bonds7

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

6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121394153) has the molecular formula C35H37FN4O3 and a molecular weight of 580.70 g/mol. Its IUPAC name is 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121394153
Molecular FormulaC35H37FN4O3
Molecular Weight580.70 g/mol
Exact Mass580.28
IUPAC Name6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccc(F)cc5)CC4)cc2C3)[nH]1
InChIInChI=1S/C35H37FN4O3/c36-27-6-4-24(5-7-27)10-13-39-14-11-28(12-15-39)37-29-8-9-33-26(21-29)20-25-2-1-3-31(35(25)43-33)32-22-30(23-34(41)38-32)40-16-18-42-19-17-40/h1-9,21-23,28,37H,10-20H2,(H,38,41)
InChIKeyKCCGVVBXBVQRMQ-UHFFFAOYSA-N
XLogP5.83
TPSA69.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.70
LogP ≤ 55.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121394153) is 6-[7-[[1-[2-(4-fluorophenyl)ethyl]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-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2cccc3c2Oc2ccc(NC4CCN(CCc5ccc(F)cc5)CC4)cc2C3)[nH]1.
What is the InChIKey of 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is KCCGVVBXBVQRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O3/c36-27-6-4-24(5-7-27)10-13-39-14-11-28(12-15-39)37-29-8-9-33-26(21-29)20-25-2-1-3-31(35(25)43-33)32-22-30(23-34(41)38-32)40-16-18-42-19-17-40/h1-9,21-23,28,37H,10-20H2,(H,38,41).
What are the key properties of 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 580.70 g/mol, XLogP of 5.83, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-[[1-[2-(4-fluorophenyl)ethyl]piperidin-4-yl]amino]-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121394153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).