4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine

C21H15N5 — CID 151589765

IUPAC4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3nccc4ccccc34)nccc2n1-c1ccccc1
InChIInChI=1S/C21H15N5/c22-21-25-19-17(26(21)15-7-2-1-3-8-15)11-13-24-20(19)18-16-9-5-4-6-14(16)10-12-23-18/h1-13H,(H2,22,25)
InChIKeyQIGHNPGBLYIGLP-UHFFFAOYSA-N
MW337.39 g/mol
LogP4.22
Rot. Bonds2

About 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine

4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine (PubChem CID 151589765) has the molecular formula C21H15N5 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine.

Molecular Properties

Compound Name4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine
PubChem CID151589765
Molecular FormulaC21H15N5
Molecular Weight337.39 g/mol
Exact Mass337.13
IUPAC Name4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine
SMILESNc1nc2c(-c3nccc4ccccc34)nccc2n1-c1ccccc1
InChIInChI=1S/C21H15N5/c22-21-25-19-17(26(21)15-7-2-1-3-8-15)11-13-24-20(19)18-16-9-5-4-6-14(16)10-12-23-18/h1-13H,(H2,22,25)
InChIKeyQIGHNPGBLYIGLP-UHFFFAOYSA-N
XLogP4.22
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine?
The IUPAC name of 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine (CID 151589765) is 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine.
What is the SMILES notation for 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine?
The canonical SMILES for 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine is Nc1nc2c(-c3nccc4ccccc34)nccc2n1-c1ccccc1.
What is the InChIKey of 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine?
The InChIKey is QIGHNPGBLYIGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5/c22-21-25-19-17(26(21)15-7-2-1-3-8-15)11-13-24-20(19)18-16-9-5-4-6-14(16)10-12-23-18/h1-13H,(H2,22,25).
What are the key properties of 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine?
4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine has a molecular weight of 337.39 g/mol, XLogP of 4.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-isoquinolin-1-yl-1-phenylimidazo[4,5-c]pyridin-2-amine is sourced from PubChem (CID 151589765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).