3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine

C15H11N5 — CID 79275014

IUPAC3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1-c1cccc2cnccc12
InChIInChI=1S/C15H11N5/c16-15-19-12-4-2-7-18-14(12)20(15)13-5-1-3-10-9-17-8-6-11(10)13/h1-9H,(H2,16,19)
InChIKeyLNUVBWRKMMCLLU-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.55
Rot. Bonds1

About 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine

3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine (PubChem CID 79275014) has the molecular formula C15H11N5 and a molecular weight of 261.29 g/mol. Its IUPAC name is 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine.

Molecular Properties

Compound Name3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine
PubChem CID79275014
Molecular FormulaC15H11N5
Molecular Weight261.29 g/mol
Exact Mass261.10
IUPAC Name3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine
SMILESNc1nc2cccnc2n1-c1cccc2cnccc12
InChIInChI=1S/C15H11N5/c16-15-19-12-4-2-7-18-14(12)20(15)13-5-1-3-10-9-17-8-6-11(10)13/h1-9H,(H2,16,19)
InChIKeyLNUVBWRKMMCLLU-UHFFFAOYSA-N
XLogP2.55
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2-methoxyethyl)phenyl]imidazo[4,5-b]pyridin-2-amine
CID 102906780
3-thiophen-3-ylimidazo[4,5-b]pyridin-2-amine
CID 79289361
5-pyrrolidin-1-ylisoquinoline
CID 82582558
3-(3,4-difluorophenyl)imidazo[4,5-b]pyridin-2-amine
CID 79289903
ethane;isoquinolin-5-amine
CID 143675367
ethyl 2-(3-naphthalen-1-ylimidazo[4,5-b]pyridin-2-yl)sulfanylacetate
CID 134241898
1-quinolin-6-ylimidazo[4,5-c]pyridin-2-amine
CID 79271506
3-cyclobutylimidazo[4,5-b]pyridin-2-amine
CID 79289020
5-(5-methylpyrazol-1-yl)isoquinoline
CID 139907357
3-(1,3-benzothiazol-6-yl)imidazo[4,5-b]pyridin-2-amine
CID 107805988
N-ethyl-1-isoquinolin-5-ylimidazol-2-amine
CID 106562839
CID 159683901
CID 159683901

Frequently Asked Questions

What is the IUPAC name of 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine?
The IUPAC name of 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine (CID 79275014) is 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine.
What is the SMILES notation for 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine?
The canonical SMILES for 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine is Nc1nc2cccnc2n1-c1cccc2cnccc12.
What is the InChIKey of 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine?
The InChIKey is LNUVBWRKMMCLLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5/c16-15-19-12-4-2-7-18-14(12)20(15)13-5-1-3-10-9-17-8-6-11(10)13/h1-9H,(H2,16,19).
What are the key properties of 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine?
3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine has a molecular weight of 261.29 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoquinolin-5-ylimidazo[4,5-b]pyridin-2-amine is sourced from PubChem (CID 79275014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).