2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C25H30N8O2 — CID 90267819

IUPAC2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4C3)nc21
InChIInChI=1S/C25H30N8O2/c1-15-11-32(12-16(2)35-15)22-8-7-17-13-31(14-19(17)27-22)10-9-21-28-24-18-5-4-6-20(34-3)23(18)29-25(26)33(24)30-21/h4-8,15-16H,9-14H2,1-3H3,(H2,26,29)/t15-,16+
InChIKeyXAVZXFRHBGKFRK-IYBDPMFKSA-N
MW474.57 g/mol
LogP2.44
Rot. Bonds5

About 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 90267819) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID90267819
Molecular FormulaC25H30N8O2
Molecular Weight474.57 g/mol
Exact Mass474.25
IUPAC Name2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(CCN3Cc4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4C3)nc21
InChIInChI=1S/C25H30N8O2/c1-15-11-32(12-16(2)35-15)22-8-7-17-13-31(14-19(17)27-22)10-9-21-28-24-18-5-4-6-20(34-3)23(18)29-25(26)33(24)30-21/h4-8,15-16H,9-14H2,1-3H3,(H2,26,29)/t15-,16+
InChIKeyXAVZXFRHBGKFRK-IYBDPMFKSA-N
XLogP2.44
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[2-(2-fluoro-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901504
2-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;ethane
CID 144656842
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-[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
2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76901136
7-methoxy-2-(3-morpholin-4-ylpropyl)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 121454478
7-methoxy-2-[2-(3-phenyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258395
3-(5-amino-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-2-yl)propan-1-ol;2-(3-chloropropyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)propyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;thionyl dichloride
CID 158954379
7-methoxy-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90268021
7-methoxy-2-[2-(3-methylsulfanyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 76902268
7-methoxy-2-[2-[7-[2-(trifluoromethyl)pyrimidin-5-yl]-3,4-dihydro-1H-isoquinolin-2-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258252
7-methoxy-2-[2-[2-(trifluoromethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
CID 90258117

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 90267819) is 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(CCN3Cc4ccc(N5C[C@@H](C)O[C@@H](C)C5)nc4C3)nc21.
What is the InChIKey of 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is XAVZXFRHBGKFRK-IYBDPMFKSA-N. The full InChI is InChI=1S/C25H30N8O2/c1-15-11-32(12-16(2)35-15)22-8-7-17-13-31(14-19(17)27-22)10-9-21-28-24-18-5-4-6-20(34-3)23(18)29-25(26)33(24)30-21/h4-8,15-16H,9-14H2,1-3H3,(H2,26,29)/t15-,16+.
What are the key properties of 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 474.57 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 90267819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).