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

C20H18N4O2 — CID 162030162

IUPAC1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESc1cnc2c(c1)CN=C2Nc1ccc2c(O[C@@H]3CCOC3)nccc2c1
InChIInChI=1S/C20H18N4O2/c1-2-14-11-23-19(18(14)21-7-1)24-15-3-4-17-13(10-15)5-8-22-20(17)26-16-6-9-25-12-16/h1-5,7-8,10,16H,6,9,11-12H2,(H,23,24)/t16-/m1/s1
InChIKeyYVXKOFZWPSMFIS-MRXNPFEDSA-N
MW346.39 g/mol
LogP3.17
Rot. Bonds3

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

1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (PubChem CID 162030162) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
PubChem CID162030162
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESc1cnc2c(c1)CN=C2Nc1ccc2c(O[C@@H]3CCOC3)nccc2c1
InChIInChI=1S/C20H18N4O2/c1-2-14-11-23-19(18(14)21-7-1)24-15-3-4-17-13(10-15)5-8-22-20(17)26-16-6-9-25-12-16/h1-5,7-8,10,16H,6,9,11-12H2,(H,23,24)/t16-/m1/s1
InChIKeyYVXKOFZWPSMFIS-MRXNPFEDSA-N
XLogP3.17
TPSA68.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158812777
1-N-(cyclopentylmethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158219698
1-[(3-methylcyclobutyl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158904620
1-methyl-3-[(3S)-oxolan-3-yl]oxy-N-(7H-pyrrolo[3,4-b]pyridin-5-yl)indazol-6-amine
CID 159763887
1-N-methyl-1-N-(2-piperidin-1-ylethyl)-6-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinoline-1,6-diamine
CID 158904621
N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]-1-[(3R)-oxolan-3-yl]oxyisoquinolin-6-amine
CID 134499078
3-[(4-methoxypiperidin-1-yl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
CID 158510489
3-amino-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626710
N-[3-chloro-4-(1-phenylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 161126434
[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
CID 146586192
1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 161320320
2-[(3S)-oxolan-3-yl]oxypyridine-3-carboxamide
CID 124585246

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The IUPAC name of 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (CID 162030162) is 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The canonical SMILES for 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is c1cnc2c(c1)CN=C2Nc1ccc2c(O[C@@H]3CCOC3)nccc2c1.
What is the InChIKey of 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The InChIKey is YVXKOFZWPSMFIS-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-2-14-11-23-19(18(14)21-7-1)24-15-3-4-17-13(10-15)5-8-22-20(17)26-16-6-9-25-12-16/h1-5,7-8,10,16H,6,9,11-12H2,(H,23,24)/t16-/m1/s1.
What are the key properties of 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine has a molecular weight of 346.39 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is sourced from PubChem (CID 162030162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).