N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide

C29H32N4O2 — CID 123521625

IUPACN-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESCCCC(CN(C)Cc1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C29H32N4O2/c1-3-7-24(19-33(2)18-20-8-5-4-6-9-20)30-29(34)23-10-12-26-25(17-23)28(32-31-26)22-11-13-27-21(16-22)14-15-35-27/h4-6,8-13,16-17,24H,3,7,14-15,18-19H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyVUNYDRCLQCMVBU-UHFFFAOYSA-N
MW468.60 g/mol
LogP5.20
Rot. Bonds9

About N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide

N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (PubChem CID 123521625) has the molecular formula C29H32N4O2 and a molecular weight of 468.60 g/mol. Its IUPAC name is N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
PubChem CID123521625
Molecular FormulaC29H32N4O2
Molecular Weight468.60 g/mol
Exact Mass468.25
IUPAC NameN-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide
SMILESCCCC(CN(C)Cc1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1
InChIInChI=1S/C29H32N4O2/c1-3-7-24(19-33(2)18-20-8-5-4-6-9-20)30-29(34)23-10-12-26-25(17-23)28(32-31-26)22-11-13-27-21(16-22)14-15-35-27/h4-6,8-13,16-17,24H,3,7,14-15,18-19H2,1-2H3,(H,30,34)(H,31,32)
InChIKeyVUNYDRCLQCMVBU-UHFFFAOYSA-N
XLogP5.20
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.60
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The IUPAC name of N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide (CID 123521625) is N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The canonical SMILES for N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is CCCC(CN(C)Cc1ccccc1)NC(=O)c1ccc2[nH]nc(-c3ccc4c(c3)CCO4)c2c1.
What is the InChIKey of N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
The InChIKey is VUNYDRCLQCMVBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O2/c1-3-7-24(19-33(2)18-20-8-5-4-6-9-20)30-29(34)23-10-12-26-25(17-23)28(32-31-26)22-11-13-27-21(16-22)14-15-35-27/h4-6,8-13,16-17,24H,3,7,14-15,18-19H2,1-2H3,(H,30,34)(H,31,32).
What are the key properties of N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide?
N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide has a molecular weight of 468.60 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(methyl)amino]pentan-2-yl]-3-(2,3-dihydro-1-benzofuran-5-yl)-1H-indazole-5-carboxamide is sourced from PubChem (CID 123521625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).