4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide

C16H12N6O — CID 71765585

IUPAC4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)
InChIKeyOPQNPPRJLLADTG-UHFFFAOYSA-N
MW304.31 g/mol
LogP1.85
Rot. Bonds2

About 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide

4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide (PubChem CID 71765585) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide
PubChem CID71765585
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide
SMILESNC(=O)c1nnc2c(-c3ccc4cn[nH]c4c3)cccc2c1N
InChIInChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20)
InChIKeyOPQNPPRJLLADTG-UHFFFAOYSA-N
XLogP1.85
TPSA123.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide (CID 71765585) is 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide is NC(=O)c1nnc2c(-c3ccc4cn[nH]c4c3)cccc2c1N.
What is the InChIKey of 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide?
The InChIKey is OPQNPPRJLLADTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O/c17-13-11-3-1-2-10(14(11)21-22-15(13)16(18)23)8-4-5-9-7-19-20-12(9)6-8/h1-7H,(H2,17,21)(H2,18,23)(H,19,20).
What are the key properties of 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide?
4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-8-(1H-indazol-6-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 71765585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).