[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate

C21H16F2N4O2 — CID 71134305

IUPAC[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C)c2cccc(F)c21
InChIInChI=1S/C21H16F2N4O2/c1-12-11-27(19-16(12)7-4-8-17(19)23)26-21(28)29-18-10-24-20(25-13(18)2)14-5-3-6-15(22)9-14/h3-11H,1-2H3,(H,26,28)
InChIKeyNGRGEVJVRGSBEN-UHFFFAOYSA-N
MW394.38 g/mol
LogP4.74
Rot. Bonds3

About [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate

[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate (PubChem CID 71134305) has the molecular formula C21H16F2N4O2 and a molecular weight of 394.38 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
PubChem CID71134305
Molecular FormulaC21H16F2N4O2
Molecular Weight394.38 g/mol
Exact Mass394.12
IUPAC Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C)c2cccc(F)c21
InChIInChI=1S/C21H16F2N4O2/c1-12-11-27(19-16(12)7-4-8-17(19)23)26-21(28)29-18-10-24-20(25-13(18)2)14-5-3-6-15(22)9-14/h3-11H,1-2H3,(H,26,28)
InChIKeyNGRGEVJVRGSBEN-UHFFFAOYSA-N
XLogP4.74
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate?
The IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate (CID 71134305) is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate is Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1cc(C)c2cccc(F)c21.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate?
The InChIKey is NGRGEVJVRGSBEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O2/c1-12-11-27(19-16(12)7-4-8-17(19)23)26-21(28)29-18-10-24-20(25-13(18)2)14-5-3-6-15(22)9-14/h3-11H,1-2H3,(H,26,28).
What are the key properties of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate?
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate has a molecular weight of 394.38 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate is sourced from PubChem (CID 71134305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).