9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

C24H24F2N4O4 — CID 164600826

IUPAC9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC1Cc2c(F)cc(F)cc2N1C(C)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C24H24F2N4O4/c1-13-7-18-19(26)9-16(25)10-20(18)30(13)14(2)17-8-15(24(32)33)12-29-22(31)11-21(27-23(17)29)28-3-5-34-6-4-28/h8-14H,3-7H2,1-2H3,(H,32,33)
InChIKeyLELCUSKHFBZSPA-UHFFFAOYSA-N
MW470.48 g/mol
LogP3.02
Rot. Bonds4

About 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid

9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (PubChem CID 164600826) has the molecular formula C24H24F2N4O4 and a molecular weight of 470.48 g/mol. Its IUPAC name is 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
PubChem CID164600826
Molecular FormulaC24H24F2N4O4
Molecular Weight470.48 g/mol
Exact Mass470.18
IUPAC Name9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
SMILESCC1Cc2c(F)cc(F)cc2N1C(C)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12
InChIInChI=1S/C24H24F2N4O4/c1-13-7-18-19(26)9-16(25)10-20(18)30(13)14(2)17-8-15(24(32)33)12-29-22(31)11-21(27-23(17)29)28-3-5-34-6-4-28/h8-14H,3-7H2,1-2H3,(H,32,33)
InChIKeyLELCUSKHFBZSPA-UHFFFAOYSA-N
XLogP3.02
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.48
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-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

propan-2-yl 9-[(1R)-1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600831
9-[(1R)-1-(3,5-difluoroanilino)ethyl]-7-(4-methylpiperazine-1-carbonyl)-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 118709589
ethyl 9-[1-(3,5-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600886
methyl 9-[1-(3,4-difluoroanilino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylate
CID 164600713
9-[1-(3,4-difluoroanilino)ethyl]-N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709582
9-[1-(3,4-difluoroanilino)ethyl]-7-[3-(dimethylamino)pyrrolidine-1-carbonyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 174237324
9-(1-bromoethyl)-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 164600769
9-(1-anilinoethyl)-N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709081
9-[(1S)-1-anilinoethyl]-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 51601994
N-[2-(dimethylamino)ethyl]-2-morpholin-4-yl-4-oxo-9-[1-[3-(trifluoromethyl)anilino]ethyl]pyrido[1,2-a]pyrimidine-7-carboxamide
CID 118709717
7-methyl-9-[1-(3-methylanilino)ethyl]-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
CID 66839834
N,N-dimethyl-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxamide
CID 175524750

Frequently Asked Questions

What is the IUPAC name of 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid (CID 164600826) is 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is CC1Cc2c(F)cc(F)cc2N1C(C)c1cc(C(=O)O)cn2c(=O)cc(N3CCOCC3)nc12.
What is the InChIKey of 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
The InChIKey is LELCUSKHFBZSPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O4/c1-13-7-18-19(26)9-16(25)10-20(18)30(13)14(2)17-8-15(24(32)33)12-29-22(31)11-21(27-23(17)29)28-3-5-34-6-4-28/h8-14H,3-7H2,1-2H3,(H,32,33).
What are the key properties of 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid?
9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid has a molecular weight of 470.48 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[1-(4,6-difluoro-2-methyl-2,3-dihydroindol-1-yl)ethyl]-2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 164600826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).