5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide

C26H26FN7O — CID 142417455

IUPAC5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H26FN7O/c1-16-12-19(27)18(13-22(16)33-14-21(28-15-33)17-9-10-17)26(35)30-23-7-5-6-20(29-23)25-32-31-24-8-3-2-4-11-34(24)25/h5-7,12-15,17H,2-4,8-11H2,1H3,(H,29,30,35)
InChIKeyYFULYXIUVIKOLL-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.83
Rot. Bonds5

About 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide

5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide (PubChem CID 142417455) has the molecular formula C26H26FN7O and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide
PubChem CID142417455
Molecular FormulaC26H26FN7O
Molecular Weight471.54 g/mol
Exact Mass471.22
IUPAC Name5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1
InChIInChI=1S/C26H26FN7O/c1-16-12-19(27)18(13-22(16)33-14-21(28-15-33)17-9-10-17)26(35)30-23-7-5-6-20(29-23)25-32-31-24-8-3-2-4-11-34(24)25/h5-7,12-15,17H,2-4,8-11H2,1H3,(H,29,30,35)
InChIKeyYFULYXIUVIKOLL-UHFFFAOYSA-N
XLogP4.83
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide with MolForge

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Related Compounds

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CID 142417486
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CID 146282333
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CID 11524891
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1-oxo-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)-2,3,4,5-tetrahydro-[1,4]diazepino[1,2-a]indole-8-carboxamide
CID 57390654
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Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide (CID 142417455) is 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)n2)cc1-n1cnc(C2CC2)c1.
What is the InChIKey of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide?
The InChIKey is YFULYXIUVIKOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN7O/c1-16-12-19(27)18(13-22(16)33-14-21(28-15-33)17-9-10-17)26(35)30-23-7-5-6-20(29-23)25-32-31-24-8-3-2-4-11-34(24)25/h5-7,12-15,17H,2-4,8-11H2,1H3,(H,29,30,35).
What are the key properties of 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide?
5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide has a molecular weight of 471.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-cyclopropylimidazol-1-yl)-2-fluoro-4-methyl-N-[6-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 142417455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).