N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine

C26H21N5 — CID 71617873

IUPACN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ccc34)cc2)ccn1
InChIInChI=1S/C26H21N5/c1-18-14-22(8-11-27-18)20-4-2-19(3-5-20)16-29-26-25-7-6-21(15-23(25)9-12-28-26)24-10-13-30-31-17-24/h2-15,17H,16H2,1H3,(H,28,29)
InChIKeyBWFISJWWHRIZQC-UHFFFAOYSA-N
MW403.49 g/mol
LogP5.67
Rot. Bonds5

About N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine

N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine (PubChem CID 71617873) has the molecular formula C26H21N5 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
PubChem CID71617873
Molecular FormulaC26H21N5
Molecular Weight403.49 g/mol
Exact Mass403.18
IUPAC NameN-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine
SMILESCc1cc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ccc34)cc2)ccn1
InChIInChI=1S/C26H21N5/c1-18-14-22(8-11-27-18)20-4-2-19(3-5-20)16-29-26-25-7-6-21(15-23(25)9-12-28-26)24-10-13-30-31-17-24/h2-15,17H,16H2,1H3,(H,28,29)
InChIKeyBWFISJWWHRIZQC-UHFFFAOYSA-N
XLogP5.67
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.49
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine?
The IUPAC name of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine (CID 71617873) is N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine.
What is the SMILES notation for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine?
The canonical SMILES for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine is Cc1cc(-c2ccc(CNc3nccc4cc(-c5ccnnc5)ccc34)cc2)ccn1.
What is the InChIKey of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine?
The InChIKey is BWFISJWWHRIZQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5/c1-18-14-22(8-11-27-18)20-4-2-19(3-5-20)16-29-26-25-7-6-21(15-23(25)9-12-28-26)24-10-13-30-31-17-24/h2-15,17H,16H2,1H3,(H,28,29).
What are the key properties of N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine?
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine has a molecular weight of 403.49 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-6-pyridazin-4-ylisoquinolin-1-amine is sourced from PubChem (CID 71617873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).