5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C23H24N6O3 — CID 156863854

IUPAC5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOc1cc(-c2c(-c3ccccc3)nc(N)n3c(=O)n(C[C@H]4CCCO4)nc23)cc(C)n1
InChIInChI=1S/C23H24N6O3/c1-14-11-16(12-18(25-14)31-2)19-20(15-7-4-3-5-8-15)26-22(24)29-21(19)27-28(23(29)30)13-17-9-6-10-32-17/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H2,24,26)/t17-/m1/s1
InChIKeyPJNLULNXNZLOGS-QGZVFWFLSA-N
MW432.48 g/mol
LogP2.70
Rot. Bonds5

About 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 156863854) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID156863854
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCOc1cc(-c2c(-c3ccccc3)nc(N)n3c(=O)n(C[C@H]4CCCO4)nc23)cc(C)n1
InChIInChI=1S/C23H24N6O3/c1-14-11-16(12-18(25-14)31-2)19-20(15-7-4-3-5-8-15)26-22(24)29-21(19)27-28(23(29)30)13-17-9-6-10-32-17/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H2,24,26)/t17-/m1/s1
InChIKeyPJNLULNXNZLOGS-QGZVFWFLSA-N
XLogP2.70
TPSA109.56 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 156863854) is 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is COc1cc(-c2c(-c3ccccc3)nc(N)n3c(=O)n(C[C@H]4CCCO4)nc23)cc(C)n1.
What is the InChIKey of 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is PJNLULNXNZLOGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-14-11-16(12-18(25-14)31-2)19-20(15-7-4-3-5-8-15)26-22(24)29-21(19)27-28(23(29)30)13-17-9-6-10-32-17/h3-5,7-8,11-12,17H,6,9-10,13H2,1-2H3,(H2,24,26)/t17-/m1/s1.
What are the key properties of 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 432.48 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-(2-methoxy-6-methyl-4-pyridinyl)-2-[[(2R)-oxolan-2-yl]methyl]-7-phenyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 156863854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).