(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

C23H25ClFN3O5 — CID 70794825

IUPAC(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCOCCN1C=C(C(=O)Nc2cc(OCCO)c(Cl)cc2C)[C@H](c2ccc(F)cc2)NC1=O
InChIInChI=1S/C23H25ClFN3O5/c1-14-11-18(24)20(33-10-8-29)12-19(14)26-22(30)17-13-28(7-9-32-2)23(31)27-21(17)15-3-5-16(25)6-4-15/h3-6,11-13,21,29H,7-10H2,1-2H3,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyHDPGFODOOWZPNS-NRFANRHFSA-N
MW477.92 g/mol
LogP3.39
Rot. Bonds9

About (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide

(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (PubChem CID 70794825) has the molecular formula C23H25ClFN3O5 and a molecular weight of 477.92 g/mol. Its IUPAC name is (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.

Molecular Properties

Compound Name(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
PubChem CID70794825
Molecular FormulaC23H25ClFN3O5
Molecular Weight477.92 g/mol
Exact Mass477.15
IUPAC Name(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide
SMILESCOCCN1C=C(C(=O)Nc2cc(OCCO)c(Cl)cc2C)[C@H](c2ccc(F)cc2)NC1=O
InChIInChI=1S/C23H25ClFN3O5/c1-14-11-18(24)20(33-10-8-29)12-19(14)26-22(30)17-13-28(7-9-32-2)23(31)27-21(17)15-3-5-16(25)6-4-15/h3-6,11-13,21,29H,7-10H2,1-2H3,(H,26,30)(H,27,31)/t21-/m0/s1
InChIKeyHDPGFODOOWZPNS-NRFANRHFSA-N
XLogP3.39
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.92
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4,5-dimethoxy-2-methylphenyl)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377997
(4S)-N-[4-chloro-5-[(2S)-2-hydroxy-3-methoxypropoxy]-2-methylphenyl]-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carboxamide
CID 68604347
methyl 2-[2-chloro-5-[[(4R)-4-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-pyridine-5-carbonyl]amino]-4-methylphenoxy]acetate
CID 68607305
(6S)-6-(4-fluorophenyl)-N-[5-[1-(2-hydroxyethyl)-6-oxopyridazin-3-yl]-2-methylphenyl]-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794831
(6S)-6-(4-fluorophenyl)-3-methyl-N-[2-methyl-5-(1-methyl-2-oxo-3-pyridinyl)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 70794830
2-[2-chloro-5-[[(5R)-5-(4-fluorophenyl)-7-oxo-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]thiazin-3-yl]amino]-4-methylphenoxy]ethanol
CID 58200286
(6S)-N-[5-[amino-[(2Z)-penta-2,4-dienoyl]amino]-4-fluoro-2-methylphenyl]-6-(4-fluorophenyl)-3-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 88976061
ethyl 6-(4-fluorophenyl)-3-(2-methoxyethyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 17398886
(4S)-N-[2-chloro-5-[1-(2-hydroxyethyl)-5-methylpyrazol-3-yl]phenyl]-4-(4-fluorophenyl)-1-methyl-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377506
(7R)-N-(4-chloro-2,5-dimethoxyphenyl)-7-(4-fluorophenyl)-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136717041
(4S)-4-(4-fluorophenyl)-1-(2-hydroxyethyl)-N-[2-methyl-5-(4-methyl-3,5-dioxo-1,2,4-triazin-2-yl)phenyl]-2-oxo-3,4-dihydropyridine-5-carboxamide
CID 59377584
(2S)-N-[4-chloro-5-(2-hydroxyethyl)-2-methylphenyl]-2-(4-fluorophenyl)-4-oxo-2,3-dihydropyridine-1-carboxamide
CID 59377887

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The IUPAC name of (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide (CID 70794825) is (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide.
What is the SMILES notation for (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The canonical SMILES for (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is COCCN1C=C(C(=O)Nc2cc(OCCO)c(Cl)cc2C)[C@H](c2ccc(F)cc2)NC1=O.
What is the InChIKey of (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
The InChIKey is HDPGFODOOWZPNS-NRFANRHFSA-N. The full InChI is InChI=1S/C23H25ClFN3O5/c1-14-11-18(24)20(33-10-8-29)12-19(14)26-22(30)17-13-28(7-9-32-2)23(31)27-21(17)15-3-5-16(25)6-4-15/h3-6,11-13,21,29H,7-10H2,1-2H3,(H,26,30)(H,27,31)/t21-/m0/s1.
What are the key properties of (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide?
(6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide has a molecular weight of 477.92 g/mol, XLogP of 3.39, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[4-chloro-5-(2-hydroxyethoxy)-2-methylphenyl]-6-(4-fluorophenyl)-3-(2-methoxyethyl)-2-oxo-1,6-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 70794825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).