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

C27H29FN4O3 — CID 121395241

IUPAC6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2c(F)ccc3c2Oc2ccc(NC4CCNCC4)cc2C3)[nH]1
InChIInChI=1S/C27H29FN4O3/c28-22-3-1-17-13-18-14-20(30-19-5-7-29-8-6-19)2-4-24(18)35-27(17)26(22)23-15-21(16-25(33)31-23)32-9-11-34-12-10-32/h1-4,14-16,19,29-30H,5-13H2,(H,31,33)
InChIKeyMCZFCGPUCRGNEX-UHFFFAOYSA-N
MW476.55 g/mol
LogP3.88
Rot. Bonds4

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

6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (PubChem CID 121395241) has the molecular formula C27H29FN4O3 and a molecular weight of 476.55 g/mol. Its IUPAC name is 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
PubChem CID121395241
Molecular FormulaC27H29FN4O3
Molecular Weight476.55 g/mol
Exact Mass476.22
IUPAC Name6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one
SMILESO=c1cc(N2CCOCC2)cc(-c2c(F)ccc3c2Oc2ccc(NC4CCNCC4)cc2C3)[nH]1
InChIInChI=1S/C27H29FN4O3/c28-22-3-1-17-13-18-14-20(30-19-5-7-29-8-6-19)2-4-24(18)35-27(17)26(22)23-15-21(16-25(33)31-23)32-9-11-34-12-10-32/h1-4,14-16,19,29-30H,5-13H2,(H,31,33)
InChIKeyMCZFCGPUCRGNEX-UHFFFAOYSA-N
XLogP3.88
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.55
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 22580804
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CID 22580825
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Frequently Asked Questions

What is the IUPAC name of 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The IUPAC name of 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one (CID 121395241) is 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The canonical SMILES for 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is O=c1cc(N2CCOCC2)cc(-c2c(F)ccc3c2Oc2ccc(NC4CCNCC4)cc2C3)[nH]1.
What is the InChIKey of 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
The InChIKey is MCZFCGPUCRGNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29FN4O3/c28-22-3-1-17-13-18-14-20(30-19-5-7-29-8-6-19)2-4-24(18)35-27(17)26(22)23-15-21(16-25(33)31-23)32-9-11-34-12-10-32/h1-4,14-16,19,29-30H,5-13H2,(H,31,33).
What are the key properties of 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one?
6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one has a molecular weight of 476.55 g/mol, XLogP of 3.88, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-fluoro-7-(piperidin-4-ylamino)-9H-xanthen-4-yl]-4-morpholin-4-yl-1H-pyridin-2-one is sourced from PubChem (CID 121395241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).