5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one

C23H25N7O2 — CID 167359059

IUPAC5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4ccc(=O)n(C5CC5)c4)C3)nc21
InChIInChI=1S/C23H25N7O2/c1-32-18-6-2-5-17-20(18)25-23(24)30-22(17)26-21(27-30)14-4-3-11-28(12-14)16-9-10-19(31)29(13-16)15-7-8-15/h2,5-6,9-10,13-15H,3-4,7-8,11-12H2,1H3,(H2,24,25)/t14-/m1/s1
InChIKeyCEYIEQUPSKRXOE-CQSZACIVSA-N
MW431.50 g/mol
LogP2.75
Rot. Bonds4

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

5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one (PubChem CID 167359059) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one.

Molecular Properties

Compound Name5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
PubChem CID167359059
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one
SMILESCOc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4ccc(=O)n(C5CC5)c4)C3)nc21
InChIInChI=1S/C23H25N7O2/c1-32-18-6-2-5-17-20(18)25-23(24)30-22(17)26-21(27-30)14-4-3-11-28(12-14)16-9-10-19(31)29(13-16)15-7-8-15/h2,5-6,9-10,13-15H,3-4,7-8,11-12H2,1H3,(H2,24,25)/t14-/m1/s1
InChIKeyCEYIEQUPSKRXOE-CQSZACIVSA-N
XLogP2.75
TPSA103.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one with MolForge

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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
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-(methylsulfonylmethyl)pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 146597571
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
7-methoxy-2-[(3R)-1-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359063
3-[[4-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]pyrazol-1-yl]methyl]pentan-3-ol
CID 167359163
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
2-cyclobutyl-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 169150760
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
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
7-methoxy-2-[(3R)-1-(1-methylimidazol-2-yl)piperidin-3-yl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 167359117
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

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one?
The IUPAC name of 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) is 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one.
What is the SMILES notation for 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one?
The canonical SMILES for 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one is COc1cccc2c1nc(N)n1nc([C@@H]3CCCN(c4ccc(=O)n(C5CC5)c4)C3)nc21.
What is the InChIKey of 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one?
The InChIKey is CEYIEQUPSKRXOE-CQSZACIVSA-N. The full InChI is InChI=1S/C23H25N7O2/c1-32-18-6-2-5-17-20(18)25-23(24)30-22(17)26-21(27-30)14-4-3-11-28(12-14)16-9-10-19(31)29(13-16)15-7-8-15/h2,5-6,9-10,13-15H,3-4,7-8,11-12H2,1H3,(H2,24,25)/t14-/m1/s1.
What are the key properties of 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one?
5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one has a molecular weight of 431.50 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)piperidin-1-yl]-1-cyclopropylpyridin-2-one is sourced from PubChem (CID 167359059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).