2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide

C19H13FN4O — CID 25099313

IUPAC2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nn1ccc2ccccc21)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C19H13FN4O/c20-16-6-3-5-14(10-16)18-21-11-15(12-22-18)19(25)23-24-9-8-13-4-1-2-7-17(13)24/h1-12H,(H,23,25)
InChIKeyGXCKRHVEBPBBKL-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.62
Rot. Bonds3

About 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide

2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide (PubChem CID 25099313) has the molecular formula C19H13FN4O and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
PubChem CID25099313
Molecular FormulaC19H13FN4O
Molecular Weight332.34 g/mol
Exact Mass332.11
IUPAC Name2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
SMILESO=C(Nn1ccc2ccccc21)c1cnc(-c2cccc(F)c2)nc1
InChIInChI=1S/C19H13FN4O/c20-16-6-3-5-14(10-16)18-21-11-15(12-22-18)19(25)23-24-9-8-13-4-1-2-7-17(13)24/h1-12H,(H,23,25)
InChIKeyGXCKRHVEBPBBKL-UHFFFAOYSA-N
XLogP3.62
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide (CID 25099313) is 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide is O=C(Nn1ccc2ccccc21)c1cnc(-c2cccc(F)c2)nc1.
What is the InChIKey of 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide?
The InChIKey is GXCKRHVEBPBBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O/c20-16-6-3-5-14(10-16)18-21-11-15(12-22-18)19(25)23-24-9-8-13-4-1-2-7-17(13)24/h1-12H,(H,23,25).
What are the key properties of 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide?
2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 25099313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).