[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate

C21H14FN5O2 — CID 71134102

IUPAC[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2cc(C#N)ccc21
InChIInChI=1S/C21H14FN5O2/c1-13-19(12-24-20(25-13)16-3-2-4-17(22)10-16)29-21(28)26-27-8-7-15-9-14(11-23)5-6-18(15)27/h2-10,12H,1H3,(H,26,28)
InChIKeyBYHOHRZDJOKBNK-UHFFFAOYSA-N
MW387.37 g/mol
LogP4.16
Rot. Bonds3

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

[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate (PubChem CID 71134102) has the molecular formula C21H14FN5O2 and a molecular weight of 387.37 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate
PubChem CID71134102
Molecular FormulaC21H14FN5O2
Molecular Weight387.37 g/mol
Exact Mass387.11
IUPAC Name[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate
SMILESCc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2cc(C#N)ccc21
InChIInChI=1S/C21H14FN5O2/c1-13-19(12-24-20(25-13)16-3-2-4-17(22)10-16)29-21(28)26-27-8-7-15-9-14(11-23)5-6-18(15)27/h2-10,12H,1H3,(H,26,28)
InChIKeyBYHOHRZDJOKBNK-UHFFFAOYSA-N
XLogP4.16
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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-(7-fluoro-3-methylindol-1-yl)carbamate
CID 71134305
[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-fluoro-3-(2-morpholin-4-ylethylsulfamoyl)indol-1-yl]carbamate
CID 71134174
2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
CID 25099313
2-(3-fluorophenyl)pyrimidine-5-carbonitrile
CID 45073377
5-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonic acid
CID 86639366
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099473
N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099553
2-(3-fluorophenyl)-1-methylbenzimidazole-5-carbonitrile
CID 65034830
(4-methyl-2-pyridin-2-ylpyrimidin-5-yl) N-(5-methoxy-3-methylpyrrolo[3,2-b]pyridin-1-yl)carbamate
CID 71134126
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate?
The IUPAC name of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate (CID 71134102) is [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate.
What is the SMILES notation for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate?
The canonical SMILES for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate is Cc1nc(-c2cccc(F)c2)ncc1OC(=O)Nn1ccc2cc(C#N)ccc21.
What is the InChIKey of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate?
The InChIKey is BYHOHRZDJOKBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14FN5O2/c1-13-19(12-24-20(25-13)16-3-2-4-17(22)10-16)29-21(28)26-27-8-7-15-9-14(11-23)5-6-18(15)27/h2-10,12H,1H3,(H,26,28).
What are the key properties of [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate?
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate has a molecular weight of 387.37 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(5-cyanoindol-1-yl)carbamate is sourced from PubChem (CID 71134102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).