5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

C24H23FN8O — CID 146320191

IUPAC5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1
InChIInChI=1S/C24H23FN8O/c1-14-11-17(25)16(12-19(14)33-13-26-22(31-33)15-8-9-15)24(34)28-20-6-4-5-18(27-20)23-30-29-21-7-2-3-10-32(21)23/h4-6,11-13,15H,2-3,7-10H2,1H3,(H,27,28,34)
InChIKeyKYRWZZKWIFDRTR-UHFFFAOYSA-N
MW458.50 g/mol
LogP3.83
Rot. Bonds5

About 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide

5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (PubChem CID 146320191) has the molecular formula C24H23FN8O and a molecular weight of 458.50 g/mol. Its IUPAC name is 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.

Molecular Properties

Compound Name5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
PubChem CID146320191
Molecular FormulaC24H23FN8O
Molecular Weight458.50 g/mol
Exact Mass458.20
IUPAC Name5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide
SMILESCc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1
InChIInChI=1S/C24H23FN8O/c1-14-11-17(25)16(12-19(14)33-13-26-22(31-33)15-8-9-15)24(34)28-20-6-4-5-18(27-20)23-30-29-21-7-2-3-10-32(21)23/h4-6,11-13,15H,2-3,7-10H2,1H3,(H,27,28,34)
InChIKeyKYRWZZKWIFDRTR-UHFFFAOYSA-N
XLogP3.83
TPSA103.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The IUPAC name of 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide (CID 146320191) is 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide.
What is the SMILES notation for 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The canonical SMILES for 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is Cc1cc(F)c(C(=O)Nc2cccc(-c3nnc4n3CCCC4)n2)cc1-n1cnc(C2CC2)n1.
What is the InChIKey of 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
The InChIKey is KYRWZZKWIFDRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN8O/c1-14-11-17(25)16(12-19(14)33-13-26-22(31-33)15-8-9-15)24(34)28-20-6-4-5-18(27-20)23-30-29-21-7-2-3-10-32(21)23/h4-6,11-13,15H,2-3,7-10H2,1H3,(H,27,28,34).
What are the key properties of 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide?
5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide has a molecular weight of 458.50 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-cyclopropyl-1,2,4-triazol-1-yl)-2-fluoro-4-methyl-N-[6-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-pyridinyl]benzamide is sourced from PubChem (CID 146320191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).