2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine

C28H26N6 — CID 118508633

IUPAC2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1nccc2cc(CNc3nccc4nn(Cc5ccc6c(c5)cc(C)n6C)cc34)ccc12
InChIInChI=1S/C28H26N6/c1-18-12-23-14-21(5-7-27(23)33(18)3)16-34-17-25-26(32-34)9-11-30-28(25)31-15-20-4-6-24-19(2)29-10-8-22(24)13-20/h4-14,17H,15-16H2,1-3H3,(H,30,31)
InChIKeyBAUQDVXGQWDSTC-UHFFFAOYSA-N
MW446.56 g/mol
LogP5.75
Rot. Bonds5

About 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine

2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine (PubChem CID 118508633) has the molecular formula C28H26N6 and a molecular weight of 446.56 g/mol. Its IUPAC name is 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine.

Molecular Properties

Compound Name2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
PubChem CID118508633
Molecular FormulaC28H26N6
Molecular Weight446.56 g/mol
Exact Mass446.22
IUPAC Name2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine
SMILESCc1nccc2cc(CNc3nccc4nn(Cc5ccc6c(c5)cc(C)n6C)cc34)ccc12
InChIInChI=1S/C28H26N6/c1-18-12-23-14-21(5-7-27(23)33(18)3)16-34-17-25-26(32-34)9-11-30-28(25)31-15-20-4-6-24-19(2)29-10-8-22(24)13-20/h4-14,17H,15-16H2,1-3H3,(H,30,31)
InChIKeyBAUQDVXGQWDSTC-UHFFFAOYSA-N
XLogP5.75
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.56
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The IUPAC name of 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine (CID 118508633) is 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine.
What is the SMILES notation for 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The canonical SMILES for 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine is Cc1nccc2cc(CNc3nccc4nn(Cc5ccc6c(c5)cc(C)n6C)cc34)ccc12.
What is the InChIKey of 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
The InChIKey is BAUQDVXGQWDSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N6/c1-18-12-23-14-21(5-7-27(23)33(18)3)16-34-17-25-26(32-34)9-11-30-28(25)31-15-20-4-6-24-19(2)29-10-8-22(24)13-20/h4-14,17H,15-16H2,1-3H3,(H,30,31).
What are the key properties of 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine?
2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine has a molecular weight of 446.56 g/mol, XLogP of 5.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,2-dimethylindol-5-yl)methyl]-N-[(1-methylisoquinolin-6-yl)methyl]pyrazolo[4,3-c]pyridin-4-amine is sourced from PubChem (CID 118508633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).