[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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Related Compounds

[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-(trifluoromethyl)pyrrolo[2,3-c]pyridin-1-yl]carbamate
CID 71134327
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate
CID 71134102
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[3-ethyl-5-(trifluoromethyl)pyrrolo[3,2-b]pyridin-1-yl]carbamate
CID 71134161
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-[5-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
CID 71134174
[2-(4-chloro-1,3-thiazol-2-yl)-4-methylpyrimidin-5-yl] N-(3-methylpyrrolo[2,3-b]pyridin-1-yl)carbamate
CID 71134034
[2-pyridin-2-yl-4-(trifluoromethyl)pyrimidin-5-yl] N-(5-fluoro-3-methylindol-1-yl)carbamate
CID 71134324
5-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonic acid
CID 86639366
[4-methyl-2-(1,3-thiazol-2-yl)pyrimidin-5-yl] N-(3-methylpyrrolo[3,2-c]pyridin-1-yl)carbamate
CID 71134337
N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099553
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate
CID 71134126
2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
CID 154247842

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).