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

C21H16N4O2 — CID 44540419

IUPACN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H16N4O2/c1-12-14(6-8-27-12)21(26)24-19-9-13(10-20-17(19)11-23-25-20)15-3-2-4-18-16(15)5-7-22-18/h2-11,22H,1H3,(H,23,25)(H,24,26)
InChIKeyHHUYXVCHIYEKMY-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.86
Rot. Bonds3

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

N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide (PubChem CID 44540419) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide
PubChem CID44540419
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC NameN-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12
InChIInChI=1S/C21H16N4O2/c1-12-14(6-8-27-12)21(26)24-19-9-13(10-20-17(19)11-23-25-20)15-3-2-4-18-16(15)5-7-22-18/h2-11,22H,1H3,(H,23,25)(H,24,26)
InChIKeyHHUYXVCHIYEKMY-UHFFFAOYSA-N
XLogP4.86
TPSA86.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide (CID 44540419) is N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)Nc1cc(-c2cccc3[nH]ccc23)cc2[nH]ncc12.
What is the InChIKey of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide?
The InChIKey is HHUYXVCHIYEKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-12-14(6-8-27-12)21(26)24-19-9-13(10-20-17(19)11-23-25-20)15-3-2-4-18-16(15)5-7-22-18/h2-11,22H,1H3,(H,23,25)(H,24,26).
What are the key properties of N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide?
N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 4.86, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1H-indol-4-yl)-1H-indazol-4-yl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 44540419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).