3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide

C24H24FN7O2 — CID 162655506

IUPAC3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1
InChIInChI=1S/C24H24FN7O2/c1-14-16(5-3-15(30-14)4-8-22(33)26-2)19-12-28-24(32-13-29-31-23(19)32)27-11-18-17-9-10-34-21(17)7-6-20(18)25/h3,5-7,12-13H,4,8-11H2,1-2H3,(H,26,33)(H,27,28)
InChIKeyKHAQTENVDNMYIQ-UHFFFAOYSA-N
MW461.50 g/mol
LogP2.86
Rot. Bonds7

About 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide

3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide (PubChem CID 162655506) has the molecular formula C24H24FN7O2 and a molecular weight of 461.50 g/mol. Its IUPAC name is 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide
PubChem CID162655506
Molecular FormulaC24H24FN7O2
Molecular Weight461.50 g/mol
Exact Mass461.20
IUPAC Name3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide
SMILESCNC(=O)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1
InChIInChI=1S/C24H24FN7O2/c1-14-16(5-3-15(30-14)4-8-22(33)26-2)19-12-28-24(32-13-29-31-23(19)32)27-11-18-17-9-10-34-21(17)7-6-20(18)25/h3,5-7,12-13H,4,8-11H2,1-2H3,(H,26,33)(H,27,28)
InChIKeyKHAQTENVDNMYIQ-UHFFFAOYSA-N
XLogP2.86
TPSA106.33 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.50
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide?
The IUPAC name of 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide (CID 162655506) is 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide.
What is the SMILES notation for 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide?
The canonical SMILES for 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide is CNC(=O)CCc1ccc(-c2cnc(NCc3c(F)ccc4c3CCO4)n3cnnc23)c(C)n1.
What is the InChIKey of 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide?
The InChIKey is KHAQTENVDNMYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN7O2/c1-14-16(5-3-15(30-14)4-8-22(33)26-2)19-12-28-24(32-13-29-31-23(19)32)27-11-18-17-9-10-34-21(17)7-6-20(18)25/h3,5-7,12-13H,4,8-11H2,1-2H3,(H,26,33)(H,27,28).
What are the key properties of 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide?
3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide has a molecular weight of 461.50 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-[1,2,4]triazolo[4,3-c]pyrimidin-8-yl]-6-methyl-2-pyridinyl]-N-methylpropanamide is sourced from PubChem (CID 162655506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).