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

C19H18N4 — CID 158812774

IUPAC1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESCCCc1nccc2cc(NC3=NCc4cccnc43)ccc12
InChIInChI=1S/C19H18N4/c1-2-4-17-16-7-6-15(11-13(16)8-10-20-17)23-19-18-14(12-22-19)5-3-9-21-18/h3,5-11H,2,4,12H2,1H3,(H,22,23)
InChIKeyVRRNKQQXDVGGSU-UHFFFAOYSA-N
MW302.38 g/mol
LogP3.95
Rot. Bonds3

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

1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (PubChem CID 158812774) has the molecular formula C19H18N4 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.

Molecular Properties

Compound Name1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
PubChem CID158812774
Molecular FormulaC19H18N4
Molecular Weight302.38 g/mol
Exact Mass302.15
IUPAC Name1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
SMILESCCCc1nccc2cc(NC3=NCc4cccnc43)ccc12
InChIInChI=1S/C19H18N4/c1-2-4-17-16-7-6-15(11-13(16)8-10-20-17)23-19-18-14(12-22-19)5-3-9-21-18/h3,5-11H,2,4,12H2,1H3,(H,22,23)
InChIKeyVRRNKQQXDVGGSU-UHFFFAOYSA-N
XLogP3.95
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
1-(3-methoxyphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 158812777
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
1-[(3R)-oxolan-3-yl]oxy-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine
CID 162030162
1-[4-[6-(5H-pyrrolo[3,4-b]pyridin-7-ylamino)naphthalene-1-carbonyl]piperazin-1-yl]ethanone
CID 161424529
1-methyl-3-(pyridin-2-ylmethoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 157220035
1-methyl-3-(3-methylphenyl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)indazol-6-amine
CID 161320320
3-[(4-methoxypiperidin-1-yl)methyl]-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1,2-benzoxazol-6-amine
CID 158510489
N-(6-methyl-2-pyridinyl)-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 158159052
N-[3-chloro-4-[(2-chlorophenyl)methoxy]phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 160747905
N-[3-chloro-4-(1-phenylethoxy)phenyl]-5H-pyrrolo[3,4-b]pyridin-7-amine
CID 161126434

Frequently Asked Questions

What is the IUPAC name of 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The IUPAC name of 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine (CID 158812774) is 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine.
What is the SMILES notation for 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The canonical SMILES for 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is CCCc1nccc2cc(NC3=NCc4cccnc43)ccc12.
What is the InChIKey of 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
The InChIKey is VRRNKQQXDVGGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4/c1-2-4-17-16-7-6-15(11-13(16)8-10-20-17)23-19-18-14(12-22-19)5-3-9-21-18/h3,5-11H,2,4,12H2,1H3,(H,22,23).
What are the key properties of 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine?
1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine has a molecular weight of 302.38 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine is sourced from PubChem (CID 158812774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).