1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one

C20H15F3N4O — CID 134290699

IUPAC1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1
InChIInChI=1S/C20H15F3N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(23)10-27(20)9-12-6-13(21)8-14(22)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28)
InChIKeyPAGNHRACPPYYEC-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.24
Rot. Bonds4

About 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one

1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one (PubChem CID 134290699) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one.

Molecular Properties

Compound Name1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
PubChem CID134290699
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one
SMILESCc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1
InChIInChI=1S/C20H15F3N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(23)10-27(20)9-12-6-13(21)8-14(22)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28)
InChIKeyPAGNHRACPPYYEC-UHFFFAOYSA-N
XLogP4.24
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one with MolForge

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Related Compounds

3-1H-indol-4-yl-1-{[4-(trifluoromethyl)phenyl]methyl}urea
CID 10314759
1-{[3-fluoro-4-(trifluoromethyl)phenyl]methyl}-3-1H-indol-4-ylurea
CID 10338001
2-amino-6-(2-(1H-indol-6-yl)ethyl)pyrimidin-4(3H)-one
CID 135424789
1-[(3-fluorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768221
N-(1H-Indol-6-ylmethyl)-2-(6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 9931673
N-(1H-indol-4-yl)-1-(3-(trifluoromethyl)phenyl)piperidine-4-carboxamide
CID 11531155
(2E)-3-[4-(tert-butyl)phenyl]-N-indol-6-ylprop-2-enamide
CID 44435882
N-[3-[(2-phenyl-1H-pyrrolo[3,2-c]pyridin-4-yl)amino]phenyl]acetamide
CID 117769787
N-[3-[5-(3-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-2-methylprop-2-enamide
CID 89630140
N-[3-[5-(2-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]-2-methylprop-2-enamide
CID 89630141
1-[(4-fluorophenyl)methyl]-3-1H-indol-4-ylurea
CID 24768222
1-methyl-1-phenyl-3-(3-(pyridin-4-yl)-1H-indol-6-yl)urea
CID 11962096

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The IUPAC name of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one (CID 134290699) is 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one.
What is the SMILES notation for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The canonical SMILES for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one is Cc1cc(Nc2nc(=O)c(F)cn2Cc2cc(F)cc(F)c2)c2cc[nH]c2c1.
What is the InChIKey of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
The InChIKey is PAGNHRACPPYYEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c1-11-4-17-15(2-3-24-17)18(5-11)25-20-26-19(28)16(23)10-27(20)9-12-6-13(21)8-14(22)7-12/h2-8,10,24H,9H2,1H3,(H,25,26,28).
What are the key properties of 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one?
1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one has a molecular weight of 384.36 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-difluorophenyl)methyl]-5-fluoro-2-[(6-methyl-1H-indol-4-yl)amino]pyrimidin-4-one is sourced from PubChem (CID 134290699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).