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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Launch Full Analysis

Related Compounds

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
(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-fluoro-4-[(2-oxo-1H-quinolin-4-yl)oxy]phenyl]-2-morpholin-4-ylacetamide
CID 162642847
N-(6,6a,7,12a-tetrahydrochromeno[4,3-b]chromen-2-yl)-2-morpholino-acetamide
CID 387596
N-(3,4-Dihydro-2H-1-benzopyran-3-YL)-4-(4-fluorophenyl)piperazine-1-carboxamide
CID 22580791
N-(3,4-Dihydro-2H-1-benzopyran-3-YL)-4-(2-fluorophenyl)piperazine-1-carboxamide
CID 22580804
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
N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-(2-fluorophenyl)piperazin-1-yl]propanamide
CID 53532137
N-[4-[2-[6-(4-fluorophenyl)-6-methyl-1,3-oxazinan-3-yl]ethoxy]phenyl]acetamide
CID 21545598

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).