5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

C26H31FN6O2 — CID 146411820

IUPAC5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)C(C)(C)C
InChIInChI=1S/C26H31FN6O2/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)
InChIKeyGPAXPAJQAMJICI-UHFFFAOYSA-N
MW478.57 g/mol
LogP4.64
Rot. Bonds6

About 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide

5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (PubChem CID 146411820) has the molecular formula C26H31FN6O2 and a molecular weight of 478.57 g/mol. Its IUPAC name is 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
PubChem CID146411820
Molecular FormulaC26H31FN6O2
Molecular Weight478.57 g/mol
Exact Mass478.25
IUPAC Name5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)C(C)(C)C
InChIInChI=1S/C26H31FN6O2/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34)
InChIKeyGPAXPAJQAMJICI-UHFFFAOYSA-N
XLogP4.64
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.57
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide 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 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide (CID 146411820) is 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nncn3C(C)C)n2)cc1C1CC1NC(=O)C(C)(C)C.
What is the InChIKey of 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
The InChIKey is GPAXPAJQAMJICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31FN6O2/c1-14(2)33-13-28-32-23(33)20-8-7-9-22(29-20)31-24(34)18-11-16(15(3)10-19(18)27)17-12-21(17)30-25(35)26(4,5)6/h7-11,13-14,17,21H,12H2,1-6H3,(H,30,35)(H,29,31,34).
What are the key properties of 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide?
5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide has a molecular weight of 478.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,2-dimethylpropanoylamino)cyclopropyl]-2-fluoro-4-methyl-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146411820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).