N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C21H16F2N4O — CID 25099473

IUPACN-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)cc2cc(F)ccc21
InChIInChI=1S/C21H16F2N4O/c1-12-8-15-10-17(23)6-7-19(15)27(12)26-21(28)18-11-24-20(25-13(18)2)14-4-3-5-16(22)9-14/h3-11H,1-2H3,(H,26,28)
InChIKeyGOEJNVCRFVEGCC-UHFFFAOYSA-N
MW378.38 g/mol
LogP4.38
Rot. Bonds3

About N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 25099473) has the molecular formula C21H16F2N4O and a molecular weight of 378.38 g/mol. Its IUPAC name is N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID25099473
Molecular FormulaC21H16F2N4O
Molecular Weight378.38 g/mol
Exact Mass378.13
IUPAC NameN-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)cc2cc(F)ccc21
InChIInChI=1S/C21H16F2N4O/c1-12-8-15-10-17(23)6-7-19(15)27(12)26-21(28)18-11-24-20(25-13(18)2)14-4-3-5-16(22)9-14/h3-11H,1-2H3,(H,26,28)
InChIKeyGOEJNVCRFVEGCC-UHFFFAOYSA-N
XLogP4.38
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 25099473) is N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)cc2cc(F)ccc21.
What is the InChIKey of N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is GOEJNVCRFVEGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F2N4O/c1-12-8-15-10-17(23)6-7-19(15)27(12)26-21(28)18-11-24-20(25-13(18)2)14-4-3-5-16(22)9-14/h3-11H,1-2H3,(H,26,28).
What are the key properties of N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 378.38 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 25099473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).