8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid

C25H24F2N2O5 — CID 86672435

IUPAC8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
SMILESC[C@@H]1CN(c2cc(=O)c3cc(C(=O)O)cc(C4CCCN4c4cc(F)cc(F)c4)c3o2)CCO1
InChIInChI=1S/C25H24F2N2O5/c1-14-13-28(5-6-33-14)23-12-22(30)20-8-15(25(31)32)7-19(24(20)34-23)21-3-2-4-29(21)18-10-16(26)9-17(27)11-18/h7-12,14,21H,2-6,13H2,1H3,(H,31,32)/t14-,21?/m1/s1
InChIKeyZBXYANKRWXHTOB-CKAQCJTGSA-N
MW470.47 g/mol
LogP4.34
Rot. Bonds4

About 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid

8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid (PubChem CID 86672435) has the molecular formula C25H24F2N2O5 and a molecular weight of 470.47 g/mol. Its IUPAC name is 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid.

Molecular Properties

Compound Name8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
PubChem CID86672435
Molecular FormulaC25H24F2N2O5
Molecular Weight470.47 g/mol
Exact Mass470.17
IUPAC Name8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
SMILESC[C@@H]1CN(c2cc(=O)c3cc(C(=O)O)cc(C4CCCN4c4cc(F)cc(F)c4)c3o2)CCO1
InChIInChI=1S/C25H24F2N2O5/c1-14-13-28(5-6-33-14)23-12-22(30)20-8-15(25(31)32)7-19(24(20)34-23)21-3-2-4-29(21)18-10-16(26)9-17(27)11-18/h7-12,14,21H,2-6,13H2,1H3,(H,31,32)/t14-,21?/m1/s1
InChIKeyZBXYANKRWXHTOB-CKAQCJTGSA-N
XLogP4.34
TPSA83.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.47
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid 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

8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid
CID 86672443
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylate
CID 89051890
8-(1-hydroxyethyl)-2-(2-methylmorpholin-4-yl)-4-oxochromene-6-carboxylic acid
CID 67103846
methyl 8-[1-(3-fluorophenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 89051670
8-[(1S)-1-(3,5-difluoro-N-methylanilino)ethyl]-6-(4-hydroxypiperidine-1-carbonyl)-2-(2-methylmorpholin-4-yl)chromen-4-one
CID 67103906
methyl 8-[1-(4-methylphenyl)pyrrolidin-2-yl]-2-morpholin-4-yl-4-oxochromene-6-carboxylate
CID 123542059
8-[1-(3,5-difluoroanilino)ethyl]-N,N-dimethyl-2-[(2S)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 58235059
8-[1-(3-methoxyphenyl)pyrrolidin-2-yl]-N,N-dimethyl-2-morpholin-4-yl-4-oxochromene-6-carboxamide
CID 89051673
8-(1-bromoethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide;8-(1-hydroxyethyl)-N,N-dimethyl-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxamide
CID 160543290
8-acetyl-2-morpholin-4-yl-4-oxochromene-6-carboxylic acid
CID 58234981
8-[1-(3,5-difluoroanilino)ethyl]-6-(morpholine-4-carbonyl)-2-morpholin-4-ylchromen-4-one
CID 58235053
2,6-difluoro-4-[(2S)-2-methylmorpholin-4-yl]benzoic acid
CID 146567123

Frequently Asked Questions

What is the IUPAC name of 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid?
The IUPAC name of 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid (CID 86672435) is 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid.
What is the SMILES notation for 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid?
The canonical SMILES for 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid is C[C@@H]1CN(c2cc(=O)c3cc(C(=O)O)cc(C4CCCN4c4cc(F)cc(F)c4)c3o2)CCO1.
What is the InChIKey of 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid?
The InChIKey is ZBXYANKRWXHTOB-CKAQCJTGSA-N. The full InChI is InChI=1S/C25H24F2N2O5/c1-14-13-28(5-6-33-14)23-12-22(30)20-8-15(25(31)32)7-19(24(20)34-23)21-3-2-4-29(21)18-10-16(26)9-17(27)11-18/h7-12,14,21H,2-6,13H2,1H3,(H,31,32)/t14-,21?/m1/s1.
What are the key properties of 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid?
8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid has a molecular weight of 470.47 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(3,5-difluorophenyl)pyrrolidin-2-yl]-2-[(2R)-2-methylmorpholin-4-yl]-4-oxochromene-6-carboxylic acid is sourced from PubChem (CID 86672435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).