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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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).