N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

C22H19FN4O — CID 25099553

IUPACN-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)c(C)c2ccccc21
InChIInChI=1S/C22H19FN4O/c1-13-15(3)27(20-10-5-4-9-18(13)20)26-22(28)19-12-24-21(25-14(19)2)16-7-6-8-17(23)11-16/h4-12H,1-3H3,(H,26,28)
InChIKeyTXGGHDJORHAAKC-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.55
Rot. Bonds3

About N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide

N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (PubChem CID 25099553) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
PubChem CID25099553
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
SMILESCc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)c(C)c2ccccc21
InChIInChI=1S/C22H19FN4O/c1-13-15(3)27(20-10-5-4-9-18(13)20)26-22(28)19-12-24-21(25-14(19)2)16-7-6-8-17(23)11-16/h4-12H,1-3H3,(H,26,28)
InChIKeyTXGGHDJORHAAKC-UHFFFAOYSA-N
XLogP4.55
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonyl chloride
CID 154247842
N-(5-fluoro-2-methylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099473
5-fluoro-1-[[2-(3-fluorophenyl)-4-methylpyrimidine-5-carbonyl]amino]indole-3-sulfonic acid
CID 86639366
N-[5-fluoro-3-(2-hydroxy-2-methylpropyl)indol-1-yl]-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide
CID 25099693
2-(3-fluorophenyl)-4-methyl-N-[[5-(propan-2-ylsulfamoyl)-3-pyridinyl]methyl]pyrimidine-5-carboxamide
CID 90918304
4-amino-2-(3-fluorophenyl)-N-methylpyrimidine-5-carboxamide
CID 83567185
[2-(3-fluorophenyl)-4-methylpyrimidin-5-yl] N-(7-fluoro-3-methylindol-1-yl)carbamate
CID 71134305
2-(3-fluorophenyl)-N-indol-1-ylpyrimidine-5-carboxamide
CID 25099313
(3-carbamoyl-5-methoxyindol-1-yl) 2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxylate
CID 90946247
N-(3-acetamidophenyl)-4-methyl-2-phenylpyrimidine-5-carboxamide
CID 96596105
N-(3-ethyl-5-fluoropyrrolo[2,3-b]pyridin-1-yl)-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59199955
N-[5-fluoro-3-(3-hydroxy-3-methylbutyl)indol-1-yl]-4-methyl-2-pyridin-2-ylpyrimidine-5-carboxamide
CID 59200027

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide (CID 25099553) is N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is Cc1nc(-c2cccc(F)c2)ncc1C(=O)Nn1c(C)c(C)c2ccccc21.
What is the InChIKey of N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
The InChIKey is TXGGHDJORHAAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c1-13-15(3)27(20-10-5-4-9-18(13)20)26-22(28)19-12-24-21(25-14(19)2)16-7-6-8-17(23)11-16/h4-12H,1-3H3,(H,26,28).
What are the key properties of N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide?
N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide has a molecular weight of 374.42 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylindol-1-yl)-2-(3-fluorophenyl)-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 25099553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).