4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid

C28H29FN4O5 — CID 121395288

IUPAC4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C28H29FN4O5/c29-22-3-1-17-13-18-14-20(30-19-5-7-33(8-6-19)28(35)36)2-4-24(18)38-27(17)26(22)23-15-21(16-25(34)31-23)32-9-11-37-12-10-32/h1-4,14-16,19,30H,5-13H2,(H,31,34)(H,35,36)
InChIKeyRZZYOCMNUCRCRV-UHFFFAOYSA-N
MW520.56 g/mol
LogP4.27
Rot. Bonds4

About 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid

4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 121395288) has the molecular formula C28H29FN4O5 and a molecular weight of 520.56 g/mol. Its IUPAC name is 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID121395288
Molecular FormulaC28H29FN4O5
Molecular Weight520.56 g/mol
Exact Mass520.21
IUPAC Name4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1
InChIInChI=1S/C28H29FN4O5/c29-22-3-1-17-13-18-14-20(30-19-5-7-33(8-6-19)28(35)36)2-4-24(18)38-27(17)26(22)23-15-21(16-25(34)31-23)32-9-11-37-12-10-32/h1-4,14-16,19,30H,5-13H2,(H,31,34)(H,35,36)
InChIKeyRZZYOCMNUCRCRV-UHFFFAOYSA-N
XLogP4.27
TPSA107.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.56
LogP ≤ 54.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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
(E)-N-[(1S)-1-(2-methoxy-5-morpholin-4-ylphenyl)ethyl]-3-phenylprop-2-enamide
CID 11245533
[(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-methylcarbamic acid
CID 67280374
[(3R,4R)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]-methylcarbamic acid
CID 67280375
[(3R,4S)-4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]methylcarbamic acid
CID 67280376
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-[[(3R)-oxolan-3-yl]amino]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 68698588
N-[(2S,3S)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(4S)-6-[[(3R)-oxolan-3-yl]amino]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]butan-2-yl]acetamide
CID 68698589
N-[(4S)-4-[[(2R,3S)-3-acetamido-4-(3,5-difluorophenyl)-2-hydroxybutyl]amino]spiro[3,4-dihydrochromene-2,1'-cyclobutane]-6-yl]acetamide
CID 68698873
N-[(2S,3R)-1-(3,5-difluorophenyl)-4-[[(4S)-7-fluoro-6-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68699581
N-[(2S,3S)-1-(3,5-difluorophenyl)-4-[[(4S)-7-fluoro-6-(oxan-4-ylamino)spiro[3,4-dihydrochromene-2,1'-cyclobutane]-4-yl]amino]-3-hydroxybutan-2-yl]acetamide
CID 68699582
[4-[(4-fluorobenzoyl)amino]-6-[4-(oxetan-3-yl)piperazin-1-yl]-3,4-dihydro-2H-chromen-3-yl]methylcarbamic acid
CID 77258890
3-fluoro-4-[[5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid
CID 121394024

Frequently Asked Questions

What is the IUPAC name of 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid (CID 121395288) is 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid is O=C(O)N1CCC(Nc2ccc3c(c2)Cc2ccc(F)c(-c4cc(N5CCOCC5)cc(=O)[nH]4)c2O3)CC1.
What is the InChIKey of 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is RZZYOCMNUCRCRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN4O5/c29-22-3-1-17-13-18-14-20(30-19-5-7-33(8-6-19)28(35)36)2-4-24(18)38-27(17)26(22)23-15-21(16-25(34)31-23)32-9-11-37-12-10-32/h1-4,14-16,19,30H,5-13H2,(H,31,34)(H,35,36).
What are the key properties of 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid?
4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 520.56 g/mol, XLogP of 4.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-fluoro-5-(4-morpholin-4-yl-6-oxo-1H-pyridin-2-yl)-9H-xanthen-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 121395288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).