methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate

C24H20FN5O5 — CID 58686772

IUPACmethyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)ncn1
InChIInChI=1S/C24H20FN5O5/c1-12-7-13(3-6-16(12)25)10-26-21(31)18-9-19(28-11-27-18)22(32)30-20-15-5-4-14(24(34)35-2)8-17(15)29-23(20)33/h3-9,11,20H,10H2,1-2H3,(H,26,31)(H,29,33)(H,30,32)
InChIKeyQKIDVUMVYDEDHG-UHFFFAOYSA-N
MW477.45 g/mol
LogP2.06
Rot. Bonds6

About methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate

methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate (PubChem CID 58686772) has the molecular formula C24H20FN5O5 and a molecular weight of 477.45 g/mol. Its IUPAC name is methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate
PubChem CID58686772
Molecular FormulaC24H20FN5O5
Molecular Weight477.45 g/mol
Exact Mass477.14
IUPAC Namemethyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate
SMILESCOC(=O)c1ccc2c(c1)NC(=O)C2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)ncn1
InChIInChI=1S/C24H20FN5O5/c1-12-7-13(3-6-16(12)25)10-26-21(31)18-9-19(28-11-27-18)22(32)30-20-15-5-4-14(24(34)35-2)8-17(15)29-23(20)33/h3-9,11,20H,10H2,1-2H3,(H,26,31)(H,29,33)(H,30,32)
InChIKeyQKIDVUMVYDEDHG-UHFFFAOYSA-N
XLogP2.06
TPSA139.38 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.45
LogP ≤ 52.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate with MolForge

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Related Compounds

Methyl 3-[[1-[2-(4-fluoroanilino)pyrimidin-4-yl]pyrrolidin-3-yl]carbamoylamino]benzoate
CID 44525934
4-[Dideuterio-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]methyl]benzoic acid
CID 73602839
4-({[6-(4-Fluoro-3-methyl-benzylcarbamoyl)-pyrimidine-4-carbonyl]-amino}-methyl)-benzoic acid
CID 90101286
Methyl 3-[2-[[2-(4-fluoroanilino)pyrimidin-4-yl]amino]ethylcarbamoylamino]benzoate
CID 44525970
3-[(2Z)-2-[5-[(2-aminopyrimidin-4-yl)methylcarbamoyl]-2-oxo-1H-indol-3-ylidene]ethyl]benzoic acid
CID 168283482
methyl 3-(1-benzyl-2,6-dioxo-7H-purin-3-yl)-4-methylbenzoate
CID 2823215
Bptf-IN-1
CID 155812015
Methyl 2-{[(7-cyclopropyl-6-{[(4-fluorobenzyl)amino]carbonyl}-6-methyl-8-oxo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazin-1-yl)carbonyl]amino}benzoate
CID 53084124
Methyl 6-[5-fluoro-2-[3-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-1-propan-2-ylindole-2-carboxylate
CID 177654367
Methyl 6-[5-fluoro-2-[3-(prop-2-enoylamino)anilino]pyrimidin-4-yl]-1-methylindole-2-carboxylate
CID 177655061
methyl 3-({[4-(2,3-difluorophenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]carbonyl}amino)-4-methylbenzoate
CID 49655485
methyl 1-(6-methylpyrimidine-4-carbonyl)-3,4-dihydro-2H-quinoline-7-carboxylate
CID 132395290

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate?
The IUPAC name of methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate (CID 58686772) is methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate.
What is the SMILES notation for methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate?
The canonical SMILES for methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate is COC(=O)c1ccc2c(c1)NC(=O)C2NC(=O)c1cc(C(=O)NCc2ccc(F)c(C)c2)ncn1.
What is the InChIKey of methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate?
The InChIKey is QKIDVUMVYDEDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O5/c1-12-7-13(3-6-16(12)25)10-26-21(31)18-9-19(28-11-27-18)22(32)30-20-15-5-4-14(24(34)35-2)8-17(15)29-23(20)33/h3-9,11,20H,10H2,1-2H3,(H,26,31)(H,29,33)(H,30,32).
What are the key properties of methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate?
methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate has a molecular weight of 477.45 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[(4-fluoro-3-methylphenyl)methylcarbamoyl]pyrimidine-4-carbonyl]amino]-2-oxo-1,3-dihydroindole-6-carboxylate is sourced from PubChem (CID 58686772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).