4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide

C18H16N6O — CID 71765624

IUPAC4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide
SMILESCc1cc2c(cnn2C)cc1-c1cccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C18H16N6O/c1-9-6-14-10(8-21-24(14)2)7-13(9)11-4-3-5-12-15(19)17(18(20)25)23-22-16(11)12/h3-8H,1-2H3,(H2,19,22)(H2,20,25)
InChIKeyVEWVQEWUQVTFMD-UHFFFAOYSA-N
MW332.37 g/mol
LogP2.17
Rot. Bonds2

About 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide

4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide (PubChem CID 71765624) has the molecular formula C18H16N6O and a molecular weight of 332.37 g/mol. Its IUPAC name is 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide
PubChem CID71765624
Molecular FormulaC18H16N6O
Molecular Weight332.37 g/mol
Exact Mass332.14
IUPAC Name4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide
SMILESCc1cc2c(cnn2C)cc1-c1cccc2c(N)c(C(N)=O)nnc12
InChIInChI=1S/C18H16N6O/c1-9-6-14-10(8-21-24(14)2)7-13(9)11-4-3-5-12-15(19)17(18(20)25)23-22-16(11)12/h3-8H,1-2H3,(H2,19,22)(H2,20,25)
InChIKeyVEWVQEWUQVTFMD-UHFFFAOYSA-N
XLogP2.17
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.37
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide (CID 71765624) is 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide is Cc1cc2c(cnn2C)cc1-c1cccc2c(N)c(C(N)=O)nnc12.
What is the InChIKey of 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide?
The InChIKey is VEWVQEWUQVTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O/c1-9-6-14-10(8-21-24(14)2)7-13(9)11-4-3-5-12-15(19)17(18(20)25)23-22-16(11)12/h3-8H,1-2H3,(H2,19,22)(H2,20,25).
What are the key properties of 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide?
4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide has a molecular weight of 332.37 g/mol, XLogP of 2.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(1,6-dimethylindazol-5-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 71765624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).