4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

C17H14N4 — CID 70762148

IUPAC4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cncc3ccccc23)c2cc[nH]c2n1
InChIInChI=1S/C17H14N4/c1-18-16-8-14(13-6-7-20-17(13)21-16)15-10-19-9-11-4-2-3-5-12(11)15/h2-10H,1H3,(H2,18,20,21)
InChIKeyAVNGVOHXHAOYFP-UHFFFAOYSA-N
MW274.33 g/mol
LogP3.82
Rot. Bonds2

About 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine

4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (PubChem CID 70762148) has the molecular formula C17H14N4 and a molecular weight of 274.33 g/mol. Its IUPAC name is 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.

Molecular Properties

Compound Name4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
PubChem CID70762148
Molecular FormulaC17H14N4
Molecular Weight274.33 g/mol
Exact Mass274.12
IUPAC Name4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine
SMILESCNc1cc(-c2cncc3ccccc23)c2cc[nH]c2n1
InChIInChI=1S/C17H14N4/c1-18-16-8-14(13-6-7-20-17(13)21-16)15-10-19-9-11-4-2-3-5-12(11)15/h2-10H,1H3,(H2,18,20,21)
InChIKeyAVNGVOHXHAOYFP-UHFFFAOYSA-N
XLogP3.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The IUPAC name of 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine (CID 70762148) is 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine.
What is the SMILES notation for 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The canonical SMILES for 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is CNc1cc(-c2cncc3ccccc23)c2cc[nH]c2n1.
What is the InChIKey of 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
The InChIKey is AVNGVOHXHAOYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4/c1-18-16-8-14(13-6-7-20-17(13)21-16)15-10-19-9-11-4-2-3-5-12(11)15/h2-10H,1H3,(H2,18,20,21).
What are the key properties of 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine?
4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine has a molecular weight of 274.33 g/mol, XLogP of 3.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-4-yl-N-methyl-1H-pyrrolo[2,3-b]pyridin-6-amine is sourced from PubChem (CID 70762148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).