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

C24H27N3O4 — CID 58582214

IUPAC3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H27N3O4/c1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20/h5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeyDBAQDFHNAZABLT-GOSISDBHSA-N
MW421.50 g/mol
LogP4.51
Rot. Bonds8

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

3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide (PubChem CID 58582214) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide
PubChem CID58582214
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC Name3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide
SMILESCCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cc4ccccc4o3)c12
InChIInChI=1S/C24H27N3O4/c1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20/h5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27)/t18-/m1/s1
InChIKeyDBAQDFHNAZABLT-GOSISDBHSA-N
XLogP4.51
TPSA100.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.51
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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide?
The IUPAC name of 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide (CID 58582214) is 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide is CCCOc1c(C(=O)N[C@H](CO)C(C)C)ccc2[nH]nc(-c3cc4ccccc4o3)c12.
What is the InChIKey of 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide?
The InChIKey is DBAQDFHNAZABLT-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-4-11-30-23-16(24(29)25-18(13-28)14(2)3)9-10-17-21(23)22(27-26-17)20-12-15-7-5-6-8-19(15)31-20/h5-10,12,14,18,28H,4,11,13H2,1-3H3,(H,25,29)(H,26,27)/t18-/m1/s1.
What are the key properties of 3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide?
3-(1-benzofuran-2-yl)-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide has a molecular weight of 421.50 g/mol, XLogP of 4.51, 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-[(2S)-1-hydroxy-3-methylbutan-2-yl]-4-propoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 58582214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).