2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide

C21H17FN4O — CID 175822055

IUPAC2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(Cc3ncc(C(N)=O)cn3)cc12
InChIInChI=1S/C21H17FN4O/c1-12-16-8-13(9-19-24-10-14(11-25-19)21(23)27)6-7-18(16)26-20(12)15-4-2-3-5-17(15)22/h2-8,10-11,26H,9H2,1H3,(H2,23,27)
InChIKeyLTNGRPUZRPTVJX-UHFFFAOYSA-N
MW360.39 g/mol
LogP3.76
Rot. Bonds4

About 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide

2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide (PubChem CID 175822055) has the molecular formula C21H17FN4O and a molecular weight of 360.39 g/mol. Its IUPAC name is 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
PubChem CID175822055
Molecular FormulaC21H17FN4O
Molecular Weight360.39 g/mol
Exact Mass360.14
IUPAC Name2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide
SMILESCc1c(-c2ccccc2F)[nH]c2ccc(Cc3ncc(C(N)=O)cn3)cc12
InChIInChI=1S/C21H17FN4O/c1-12-16-8-13(9-19-24-10-14(11-25-19)21(23)27)6-7-18(16)26-20(12)15-4-2-3-5-17(15)22/h2-8,10-11,26H,9H2,1H3,(H2,23,27)
InChIKeyLTNGRPUZRPTVJX-UHFFFAOYSA-N
XLogP3.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide (CID 175822055) is 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide is Cc1c(-c2ccccc2F)[nH]c2ccc(Cc3ncc(C(N)=O)cn3)cc12.
What is the InChIKey of 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide?
The InChIKey is LTNGRPUZRPTVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O/c1-12-16-8-13(9-19-24-10-14(11-25-19)21(23)27)6-7-18(16)26-20(12)15-4-2-3-5-17(15)22/h2-8,10-11,26H,9H2,1H3,(H2,23,27).
What are the key properties of 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide?
2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide has a molecular weight of 360.39 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-fluorophenyl)-3-methyl-1H-indol-5-yl]methyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 175822055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).