3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide

C27H25N3O4 — CID 59428286

IUPAC3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C27H25N3O4/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30)/t21-/m1/s1
InChIKeyRLFGGZHNYFGEJP-OAQYLSRUSA-N
MW455.51 g/mol
LogP5.23
Rot. Bonds8

About 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide

3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide (PubChem CID 59428286) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide
PubChem CID59428286
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Name3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C27H25N3O4/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30)/t21-/m1/s1
InChIKeyRLFGGZHNYFGEJP-OAQYLSRUSA-N
XLogP5.23
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.51
LogP ≤ 55.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide (CID 59428286) is 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide is CCCOc1c(C(=O)N[C@H](CO)c2ccccc2)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide?
The InChIKey is RLFGGZHNYFGEJP-OAQYLSRUSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-2-14-33-26-19(27(32)28-21(16-31)17-8-4-3-5-9-17)12-13-20-24(26)25(30-29-20)23-15-18-10-6-7-11-22(18)34-23/h3-13,15,21,31H,2,14,16H2,1H3,(H,28,32)(H,29,30)/t21-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 5.23, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzofuran-2-yl)-N-[(1S)-2-hydroxy-1-phenylethyl]-4-propoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 59428286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).