7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C20H23N7O2 — CID 90258494

IUPAC7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C[C@@H](C)N3CCc4nc(C)oc4C3)nc21
InChIInChI=1S/C20H23N7O2/c1-11(26-8-7-14-16(10-26)29-12(2)22-14)9-17-23-19-13-5-4-6-15(28-3)18(13)24-20(21)27(19)25-17/h4-6,11H,7-10H2,1-3H3,(H2,21,24)/t11-/m1/s1
InChIKeyNDNIIZPJQAIRDJ-LLVKDONJSA-N
MW393.45 g/mol
LogP2.15
Rot. Bonds4

About 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90258494) has the molecular formula C20H23N7O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90258494
Molecular FormulaC20H23N7O2
Molecular Weight393.45 g/mol
Exact Mass393.19
IUPAC Name7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(C[C@@H](C)N3CCc4nc(C)oc4C3)nc21
InChIInChI=1S/C20H23N7O2/c1-11(26-8-7-14-16(10-26)29-12(2)22-14)9-17-23-19-13-5-4-6-15(28-3)18(13)24-20(21)27(19)25-17/h4-6,11H,7-10H2,1-3H3,(H2,21,24)/t11-/m1/s1
InChIKeyNDNIIZPJQAIRDJ-LLVKDONJSA-N
XLogP2.15
TPSA107.60 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Related Compounds

7-methoxy-2-[2-(2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257931
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-ol
CID 162684779
1-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-2-yloxy thiohypoiodite
CID 144662413
2-[2-(2-cyclopropyl-4,6-dihydropyrrolo[3,4-d][1,3]oxazol-5-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258167
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
2-(3,4-dihydro-1H-2,7-naphthyridin-2-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76900756
2-[(4-bromo-6,8-dihydro-5H-1,7-naphthyridin-7-yl)methyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258161
(2R)-2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-1-ol
CID 162684795
ethyl 2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)acetate
CID 90257651
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136
2-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90257978
2-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)ethanol;2-(2-chloroethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
CID 160556367

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90258494) is 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(C[C@@H](C)N3CCc4nc(C)oc4C3)nc21.
What is the InChIKey of 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is NDNIIZPJQAIRDJ-LLVKDONJSA-N. The full InChI is InChI=1S/C20H23N7O2/c1-11(26-8-7-14-16(10-26)29-12(2)22-14)9-17-23-19-13-5-4-6-15(28-3)18(13)24-20(21)27(19)25-17/h4-6,11H,7-10H2,1-3H3,(H2,21,24)/t11-/m1/s1.
What are the key properties of 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 393.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2-[(2R)-2-(2-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridin-5-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90258494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).