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

C19H22N8O — CID 167359117

IUPAC7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nccn4C)C3)nc21
InChIInChI=1S/C19H22N8O/c1-25-10-8-21-19(25)26-9-4-5-12(11-26)16-23-17-13-6-3-7-14(28-2)15(13)22-18(20)27(17)24-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyQHJKMVYPTUSAQT-GFCCVEGCSA-N
MW378.44 g/mol
LogP1.99
Rot. Bonds3

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

7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 167359117) has the molecular formula C19H22N8O and a molecular weight of 378.44 g/mol. Its IUPAC name is 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID167359117
Molecular FormulaC19H22N8O
Molecular Weight378.44 g/mol
Exact Mass378.19
IUPAC Name7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nccn4C)C3)nc21
InChIInChI=1S/C19H22N8O/c1-25-10-8-21-19(25)26-9-4-5-12(11-26)16-23-17-13-6-3-7-14(28-2)15(13)22-18(20)27(17)24-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3,(H2,20,22)/t12-/m1/s1
InChIKeyQHJKMVYPTUSAQT-GFCCVEGCSA-N
XLogP1.99
TPSA99.39 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

7-methoxy-2-[(3R)-1-phenylpiperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 155926715
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
2-[(3R)-1-(1,5-dimethyltriazol-4-yl)piperidin-3-yl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359135
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
7-methoxy-2-[1-(2-morpholin-4-ylethyl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 137359945
7-methoxy-2-[(3R)-1-[1-[(3S)-1-methylpyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359235
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
CID 167359059
7-methoxy-2-[1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597572
7-methoxy-2-[(3R)-1-[1-(2-methoxycyclopentyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359269
7-methoxy-2-[(3R)-1-[1-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
2-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]-N-cyclobutyl-2-methylpropanamide
CID 167359215
1-[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]triazol-1-yl]-2-methylpropan-2-ol
CID 167359094

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 167359117) is 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4nccn4C)C3)nc21.
What is the InChIKey of 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is QHJKMVYPTUSAQT-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H22N8O/c1-25-10-8-21-19(25)26-9-4-5-12(11-26)16-23-17-13-6-3-7-14(28-2)15(13)22-18(20)27(17)24-16/h3,6-8,10,12H,4-5,9,11H2,1-2H3,(H2,20,22)/t12-/m1/s1.
What are the key properties of 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 378.44 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 167359117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).