(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

C25H21ClFN3O5 — CID 142253775

IUPAC(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESC=C1NC(=O)C(F)=CN1COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C25H21ClFN3O5/c1-14-19(11-23(31)35-13-29-12-21(27)24(32)28-15(29)2)20-10-18(34-3)8-9-22(20)30(14)25(33)16-4-6-17(26)7-5-16/h4-10,12H,2,11,13H2,1,3H3,(H,28,32)
InChIKeyUHDOBFQXXBIDQC-UHFFFAOYSA-N
MW497.91 g/mol
LogP4.06
Rot. Bonds6

About (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate

(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (PubChem CID 142253775) has the molecular formula C25H21ClFN3O5 and a molecular weight of 497.91 g/mol. Its IUPAC name is (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.

Molecular Properties

Compound Name(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
PubChem CID142253775
Molecular FormulaC25H21ClFN3O5
Molecular Weight497.91 g/mol
Exact Mass497.12
IUPAC Name(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
SMILESC=C1NC(=O)C(F)=CN1COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12
InChIInChI=1S/C25H21ClFN3O5/c1-14-19(11-23(31)35-13-29-12-21(27)24(32)28-15(29)2)20-10-18(34-3)8-9-22(20)30(14)25(33)16-4-6-17(26)7-5-16/h4-10,12H,2,11,13H2,1,3H3,(H,28,32)
InChIKeyUHDOBFQXXBIDQC-UHFFFAOYSA-N
XLogP4.06
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.91
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate 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

(4-chlorophenyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2457568
1H-pyrazol-5-ylmethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 54163772
2-(dimethylamino)ethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658356
zinc;bis(2-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxyacetate);dihydrate
CID 11848042
[2-(methylcarbamoylamino)-2-oxoethyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 44713687
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 2569721
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
potassium;2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate;trihydrate
CID 70587994
[(2R,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl] 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 70549059
(2S)-3-[2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetyl]oxy-2-phenylpropanoic acid
CID 12606305
2-piperidin-1-ylethyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 12658359
[4-(3,3-dimethylbutoxycarbonyloxy)phenyl]methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 46191710

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The IUPAC name of (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate (CID 142253775) is (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate.
What is the SMILES notation for (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The canonical SMILES for (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is C=C1NC(=O)C(F)=CN1COC(=O)Cc1c(C)n(C(=O)c2ccc(Cl)cc2)c2ccc(OC)cc12.
What is the InChIKey of (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
The InChIKey is UHDOBFQXXBIDQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21ClFN3O5/c1-14-19(11-23(31)35-13-29-12-21(27)24(32)28-15(29)2)20-10-18(34-3)8-9-22(20)30(14)25(33)16-4-6-17(26)7-5-16/h4-10,12H,2,11,13H2,1,3H3,(H,28,32).
What are the key properties of (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate?
(5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate has a molecular weight of 497.91 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-methylidene-4-oxopyrimidin-1-yl)methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate is sourced from PubChem (CID 142253775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).