2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H24N8O — CID 176511061

IUPAC2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cc(C)nn4C)C3)nc21
InChIInChI=1S/C20H24N8O/c1-12-10-16(26(2)24-12)27-9-5-6-13(11-27)18-23-19-14-7-4-8-15(29-3)17(14)22-20(21)28(19)25-18/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H2,21,22)/t13-/m1/s1
InChIKeyIOTVKKHLWDWDHA-CYBMUJFWSA-N
MW392.47 g/mol
LogP2.29
Rot. Bonds3

About 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 176511061) has the molecular formula C20H24N8O and a molecular weight of 392.47 g/mol. Its IUPAC name is 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID176511061
Molecular FormulaC20H24N8O
Molecular Weight392.47 g/mol
Exact Mass392.21
IUPAC Name2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cc(C)nn4C)C3)nc21
InChIInChI=1S/C20H24N8O/c1-12-10-16(26(2)24-12)27-9-5-6-13(11-27)18-23-19-14-7-4-8-15(29-3)17(14)22-20(21)28(19)25-18/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H2,21,22)/t13-/m1/s1
InChIKeyIOTVKKHLWDWDHA-CYBMUJFWSA-N
XLogP2.29
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 176511061) is 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4cc(C)nn4C)C3)nc21.
What is the InChIKey of 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is IOTVKKHLWDWDHA-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H24N8O/c1-12-10-16(26(2)24-12)27-9-5-6-13(11-27)18-23-19-14-7-4-8-15(29-3)17(14)22-20(21)28(19)25-18/h4,7-8,10,13H,5-6,9,11H2,1-3H3,(H2,21,22)/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 392.47 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2,5-dimethylpyrazol-3-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 176511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).