N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide

C26H26FN3O6 — CID 67700157

IUPACN-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCCc1cn([C@@H]2O[C@H](CN(C)C(=O)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C26H26FN3O6/c1-3-14-12-30(26(34)28-23(14)32)25-21(27)22(31)19(36-25)13-29(2)24(33)20-15-8-4-6-10-17(15)35-18-11-7-5-9-16(18)20/h4-12,19-22,25,31H,3,13H2,1-2H3,(H,28,32,34)/t19-,21+,22-,25-/m1/s1
InChIKeyKYPGZYUOJLMHLK-BBNRHVKASA-N
MW495.51 g/mol
LogP2.09
Rot. Bonds5

About N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide

N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide (PubChem CID 67700157) has the molecular formula C26H26FN3O6 and a molecular weight of 495.51 g/mol. Its IUPAC name is N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide
PubChem CID67700157
Molecular FormulaC26H26FN3O6
Molecular Weight495.51 g/mol
Exact Mass495.18
IUPAC NameN-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide
SMILESCCc1cn([C@@H]2O[C@H](CN(C)C(=O)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O
InChIInChI=1S/C26H26FN3O6/c1-3-14-12-30(26(34)28-23(14)32)25-21(27)22(31)19(36-25)13-29(2)24(33)20-15-8-4-6-10-17(15)35-18-11-7-5-9-16(18)20/h4-12,19-22,25,31H,3,13H2,1-2H3,(H,28,32,34)/t19-,21+,22-,25-/m1/s1
InChIKeyKYPGZYUOJLMHLK-BBNRHVKASA-N
XLogP2.09
TPSA113.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(9S)-N-[[(2R,3R,4R,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-4-methoxy-N-methyl-9H-xanthene-9-carboxamide
CID 67699562
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-9H-xanthene-9-carboxamide
CID 5275945
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-10,10-dioxo-9H-thioxanthene-9-carboxamide
CID 5275947
N-ethyl-N-methyl-9H-xanthene-9-carboxamide
CID 134005625
1-[(2R,3S,4R,5R)-4-bromo-3-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-ethylpyrimidine-2,4-dione
CID 67463464
5-ethyl-1-[(2R,3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)-3-iodooxolan-2-yl]pyrimidine-2,4-dione
CID 67458604
1-[(2S,4R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 166157772
1-[(2R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 163573079
1-[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-[(4-ethyltriazol-1-yl)methyl]pyrimidine-2,4-dione
CID 123614346
3-amino-4-[3-[1-[(2R,4S,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propylamino]-4-oxobutanoic acid
CID 59043130
5-(2-bromoethenyl)-1-[(2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 500919
5-[(E)-2-bromoethenyl]-1-[3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione
CID 20842441

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide?
The IUPAC name of N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide (CID 67700157) is N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide is CCc1cn([C@@H]2O[C@H](CN(C)C(=O)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O.
What is the InChIKey of N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide?
The InChIKey is KYPGZYUOJLMHLK-BBNRHVKASA-N. The full InChI is InChI=1S/C26H26FN3O6/c1-3-14-12-30(26(34)28-23(14)32)25-21(27)22(31)19(36-25)13-29(2)24(33)20-15-8-4-6-10-17(15)35-18-11-7-5-9-16(18)20/h4-12,19-22,25,31H,3,13H2,1-2H3,(H,28,32,34)/t19-,21+,22-,25-/m1/s1.
What are the key properties of N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide?
N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide has a molecular weight of 495.51 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3R,4S,5R)-5-(5-ethyl-2,4-dioxopyrimidin-1-yl)-4-fluoro-3-hydroxyoxolan-2-yl]methyl]-N-methyl-9H-xanthene-9-carboxamide is sourced from PubChem (CID 67700157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).