N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

C20H17FN4O — CID 109357909

IUPACN-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C20H17FN4O/c1-13-10-14-6-2-5-9-18(14)25(13)19-11-17(22-12-23-19)20(26)24-16-8-4-3-7-15(16)21/h2-9,11-13H,10H2,1H3,(H,24,26)
InChIKeyLOASHDDOUNNNRC-UHFFFAOYSA-N
MW348.38 g/mol
LogP3.95
Rot. Bonds3

About N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide

N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (PubChem CID 109357909) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
PubChem CID109357909
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
SMILESCC1Cc2ccccc2N1c1cc(C(=O)Nc2ccccc2F)ncn1
InChIInChI=1S/C20H17FN4O/c1-13-10-14-6-2-5-9-18(14)25(13)19-11-17(22-12-23-19)20(26)24-16-8-4-3-7-15(16)21/h2-9,11-13H,10H2,1H3,(H,24,26)
InChIKeyLOASHDDOUNNNRC-UHFFFAOYSA-N
XLogP3.95
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide (CID 109357909) is N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is CC1Cc2ccccc2N1c1cc(C(=O)Nc2ccccc2F)ncn1.
What is the InChIKey of N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
The InChIKey is LOASHDDOUNNNRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-10-14-6-2-5-9-18(14)25(13)19-11-17(22-12-23-19)20(26)24-16-8-4-3-7-15(16)21/h2-9,11-13H,10H2,1H3,(H,24,26).
What are the key properties of N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide?
N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide has a molecular weight of 348.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).