5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

C24H21N7O2 — CID 156821338

IUPAC5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCOc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1
InChIInChI=1S/C24H21N7O2/c1-30-14-16(8-11-20(30)32)21-22(15-6-4-3-5-7-15)28-24(25)31-23(21)27-19(29-31)12-17-9-10-18(33-2)13-26-17/h3-11,13-14H,12H2,1-2H3,(H2,25,28)
InChIKeyKTEXNEUQDJNGIW-UHFFFAOYSA-N
MW439.48 g/mol
LogP2.73
Rot. Bonds5

About 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one

5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (PubChem CID 156821338) has the molecular formula C24H21N7O2 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
PubChem CID156821338
Molecular FormulaC24H21N7O2
Molecular Weight439.48 g/mol
Exact Mass439.18
IUPAC Name5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
SMILESCOc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1
InChIInChI=1S/C24H21N7O2/c1-30-14-16(8-11-20(30)32)21-22(15-6-4-3-5-7-15)28-24(25)31-23(21)27-19(29-31)12-17-9-10-18(33-2)13-26-17/h3-11,13-14H,12H2,1-2H3,(H2,25,28)
InChIKeyKTEXNEUQDJNGIW-UHFFFAOYSA-N
XLogP2.73
TPSA113.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one with MolForge

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5-[5-amino-2-[(R)-(3-fluoro-2-pyridinyl)-hydroxymethyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one
CID 156821421

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The IUPAC name of 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one (CID 156821338) is 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is COc1ccc(Cc2nc3c(-c4ccc(=O)n(C)c4)c(-c4ccccc4)nc(N)n3n2)nc1.
What is the InChIKey of 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
The InChIKey is KTEXNEUQDJNGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7O2/c1-30-14-16(8-11-20(30)32)21-22(15-6-4-3-5-7-15)28-24(25)31-23(21)27-19(29-31)12-17-9-10-18(33-2)13-26-17/h3-11,13-14H,12H2,1-2H3,(H2,25,28).
What are the key properties of 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one?
5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one has a molecular weight of 439.48 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-2-[(5-methoxy-2-pyridinyl)methyl]-7-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-8-yl]-1-methylpyridin-2-one is sourced from PubChem (CID 156821338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).