N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide

C26H18N4O2S — CID 59024154

IUPACN-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cnc1NC(=O)c1ccco1
InChIInChI=1S/C26H18N4O2S/c1-15-9-18(13-27-25(15)29-26(31)21-6-4-8-32-21)17-10-19-14-28-30-24(19)20(11-17)23-12-16-5-2-3-7-22(16)33-23/h2-14H,1H3,(H,28,30)(H,27,29,31)
InChIKeyNFQGLQYFCLAPNJ-UHFFFAOYSA-N
MW450.52 g/mol
LogP6.66
Rot. Bonds4

About N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide

N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide (PubChem CID 59024154) has the molecular formula C26H18N4O2S and a molecular weight of 450.52 g/mol. Its IUPAC name is N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide
PubChem CID59024154
Molecular FormulaC26H18N4O2S
Molecular Weight450.52 g/mol
Exact Mass450.12
IUPAC NameN-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide
SMILESCc1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cnc1NC(=O)c1ccco1
InChIInChI=1S/C26H18N4O2S/c1-15-9-18(13-27-25(15)29-26(31)21-6-4-8-32-21)17-10-19-14-28-30-24(19)20(11-17)23-12-16-5-2-3-7-22(16)33-23/h2-14H,1H3,(H,28,30)(H,27,29,31)
InChIKeyNFQGLQYFCLAPNJ-UHFFFAOYSA-N
XLogP6.66
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.52
LogP ≤ 56.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide?
The IUPAC name of N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide (CID 59024154) is N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide is Cc1cc(-c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)cnc1NC(=O)c1ccco1.
What is the InChIKey of N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide?
The InChIKey is NFQGLQYFCLAPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N4O2S/c1-15-9-18(13-27-25(15)29-26(31)21-6-4-8-32-21)17-10-19-14-28-30-24(19)20(11-17)23-12-16-5-2-3-7-22(16)33-23/h2-14H,1H3,(H,28,30)(H,27,29,31).
What are the key properties of N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide?
N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide has a molecular weight of 450.52 g/mol, XLogP of 6.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-(1-benzothiophen-2-yl)-1H-indazol-5-yl]-3-methyl-2-pyridinyl]furan-2-carboxamide is sourced from PubChem (CID 59024154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).