1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide

C26H27F2N3O3S — CID 67710782

IUPAC1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide
SMILESCCCc1ccc2c(c1)C(c1cccnc1C)C(C(=O)NS(C)(=O)=O)N2Cc1cc(F)ccc1F
InChIInChI=1S/C26H27F2N3O3S/c1-4-6-17-8-11-23-21(13-17)24(20-7-5-12-29-16(20)2)25(26(32)30-35(3,33)34)31(23)15-18-14-19(27)9-10-22(18)28/h5,7-14,24-25H,4,6,15H2,1-3H3,(H,30,32)
InChIKeyPHGLONLGKZLBQC-UHFFFAOYSA-N
MW499.58 g/mol
LogP4.22
Rot. Bonds7

About 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide

1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide (PubChem CID 67710782) has the molecular formula C26H27F2N3O3S and a molecular weight of 499.58 g/mol. Its IUPAC name is 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide.

Molecular Properties

Compound Name1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide
PubChem CID67710782
Molecular FormulaC26H27F2N3O3S
Molecular Weight499.58 g/mol
Exact Mass499.17
IUPAC Name1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide
SMILESCCCc1ccc2c(c1)C(c1cccnc1C)C(C(=O)NS(C)(=O)=O)N2Cc1cc(F)ccc1F
InChIInChI=1S/C26H27F2N3O3S/c1-4-6-17-8-11-23-21(13-17)24(20-7-5-12-29-16(20)2)25(26(32)30-35(3,33)34)31(23)15-18-14-19(27)9-10-22(18)28/h5,7-14,24-25H,4,6,15H2,1-3H3,(H,30,32)
InChIKeyPHGLONLGKZLBQC-UHFFFAOYSA-N
XLogP4.22
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.58
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide?
The IUPAC name of 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide (CID 67710782) is 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide.
What is the SMILES notation for 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide?
The canonical SMILES for 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide is CCCc1ccc2c(c1)C(c1cccnc1C)C(C(=O)NS(C)(=O)=O)N2Cc1cc(F)ccc1F.
What is the InChIKey of 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide?
The InChIKey is PHGLONLGKZLBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N3O3S/c1-4-6-17-8-11-23-21(13-17)24(20-7-5-12-29-16(20)2)25(26(32)30-35(3,33)34)31(23)15-18-14-19(27)9-10-22(18)28/h5,7-14,24-25H,4,6,15H2,1-3H3,(H,30,32).
What are the key properties of 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide?
1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide has a molecular weight of 499.58 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-difluorophenyl)methyl]-3-(2-methyl-3-pyridinyl)-N-methylsulfonyl-5-propyl-2,3-dihydroindole-2-carboxamide is sourced from PubChem (CID 67710782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).