3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide

C23H18N4O3 — CID 23589720

IUPAC3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccn2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C23H18N4O3/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZRVIRAUCWVBLIZ-UHFFFAOYSA-N
MW398.42 g/mol
LogP4.31
Rot. Bonds5

About 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide (PubChem CID 23589720) has the molecular formula C23H18N4O3 and a molecular weight of 398.42 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
PubChem CID23589720
Molecular FormulaC23H18N4O3
Molecular Weight398.42 g/mol
Exact Mass398.14
IUPAC Name3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide
SMILESCOc1c(C(=O)NCc2ccccn2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C23H18N4O3/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27)
InChIKeyZRVIRAUCWVBLIZ-UHFFFAOYSA-N
XLogP4.31
TPSA93.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide (CID 23589720) is 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide is COc1c(C(=O)NCc2ccccn2)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide?
The InChIKey is ZRVIRAUCWVBLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N4O3/c1-29-22-16(23(28)25-13-15-7-4-5-11-24-15)9-10-17-20(22)21(27-26-17)19-12-14-6-2-3-8-18(14)30-19/h2-12H,13H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide has a molecular weight of 398.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-4-methoxy-N-(pyridin-2-ylmethyl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 23589720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).