2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide

C23H19N5O2 — CID 44540319

IUPAC2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C23H19N5O2/c1-2-30-23-17(6-4-9-25-23)22(29)27-20-11-14(12-21-18(20)13-26-28-21)15-5-3-7-19-16(15)8-10-24-19/h3-13,24H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyZCNQKHUPKSBEGW-UHFFFAOYSA-N
MW397.44 g/mol
LogP4.76
Rot. Bonds5

About 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide

2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide (PubChem CID 44540319) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
PubChem CID44540319
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide
SMILESCCOc1ncccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C23H19N5O2/c1-2-30-23-17(6-4-9-25-23)22(29)27-20-11-14(12-21-18(20)13-26-28-21)15-5-3-7-19-16(15)8-10-24-19/h3-13,24H,2H2,1H3,(H,26,28)(H,27,29)
InChIKeyZCNQKHUPKSBEGW-UHFFFAOYSA-N
XLogP4.76
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide?
The IUPAC name of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide (CID 44540319) is 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide is CCOc1ncccc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide?
The InChIKey is ZCNQKHUPKSBEGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-2-30-23-17(6-4-9-25-23)22(29)27-20-11-14(12-21-18(20)13-26-28-21)15-5-3-7-19-16(15)8-10-24-19/h3-13,24H,2H2,1H3,(H,26,28)(H,27,29).
What are the key properties of 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide?
2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide has a molecular weight of 397.44 g/mol, XLogP of 4.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 44540319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).