1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine

C23H18N4O2 — CID 158812777

IUPAC1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESCOc1cccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)c1
InChIInChI=1S/C23H18N4O2/c1-28-18-5-2-6-19(13-18)29-23-20-8-7-17(12-15(20)9-11-25-23)27-22-21-16(14-26-22)4-3-10-24-21/h2-13H,14H2,1H3,(H,26,27)
InChIKeyBJDLNPKABDBXBE-UHFFFAOYSA-N
MW382.42 g/mol
LogP4.80
Rot. Bonds4

About 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine

1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (PubChem CID 158812777) has the molecular formula C23H18N4O2 and a molecular weight of 382.42 g/mol. Its IUPAC name is 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
PubChem CID158812777
Molecular FormulaC23H18N4O2
Molecular Weight382.42 g/mol
Exact Mass382.14
IUPAC Name1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESCOc1cccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)c1
InChIInChI=1S/C23H18N4O2/c1-28-18-5-2-6-19(13-18)29-23-20-8-7-17(12-15(20)9-11-25-23)27-22-21-16(14-26-22)4-3-10-24-21/h2-13H,14H2,1H3,(H,26,27)
InChIKeyBJDLNPKABDBXBE-UHFFFAOYSA-N
XLogP4.80
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine with MolForge

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Related Compounds

1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158812774
1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 162030162
1-[(3-methylcyclobutyl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158904620
1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158219698
[3-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541270
1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 161320320
1-(4-iodophenoxy)-6-methoxyisoquinoline
CID 106536960
[4-(6-methoxyisoquinolin-1-yl)oxyphenyl]methanol
CID 106541265
(1S)-1-[2-(3-methoxyphenoxy)-3-pyridinyl]ethanol
CID 114056411
(6-methoxyisoquinolin-1-yl) hydrogen carbonate
CID 70843477
2-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-N-(3-methoxyphenyl)pyrimidine-2,4-diamine
CID 112904653
2-(6-methoxyisoquinolin-1-yl)oxy-5-methylaniline
CID 106540123

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The IUPAC name of 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (CID 158812777) is 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The canonical SMILES for 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is COc1cccc(Oc2nccc3cc(NC4=NCc5cccnc54)ccc23)c1.
What is the InChIKey of 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The InChIKey is BJDLNPKABDBXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O2/c1-28-18-5-2-6-19(13-18)29-23-20-8-7-17(12-15(20)9-11-25-23)27-22-21-16(14-26-22)4-3-10-24-21/h2-13H,14H2,1H3,(H,26,27).
What are the key properties of 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine has a molecular weight of 382.42 g/mol, XLogP of 4.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is sourced from PubChem (CID 158812777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).