7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide

C26H18FN5OS — CID 59023766

IUPAC7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H18FN5OS/c1-14-23(15-6-8-19(27)9-7-15)25(32-30-14)29-26(33)17-10-18-13-28-31-24(18)20(11-17)22-12-16-4-2-3-5-21(16)34-22/h2-13H,1H3,(H,28,31)(H2,29,30,32,33)
InChIKeyVEEVPKAIKIDQRP-UHFFFAOYSA-N
MW467.53 g/mol
LogP6.53
Rot. Bonds4

About 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide

7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide (PubChem CID 59023766) has the molecular formula C26H18FN5OS and a molecular weight of 467.53 g/mol. Its IUPAC name is 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
PubChem CID59023766
Molecular FormulaC26H18FN5OS
Molecular Weight467.53 g/mol
Exact Mass467.12
IUPAC Name7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide
SMILESCc1[nH]nc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1-c1ccc(F)cc1
InChIInChI=1S/C26H18FN5OS/c1-14-23(15-6-8-19(27)9-7-15)25(32-30-14)29-26(33)17-10-18-13-28-31-24(18)20(11-17)22-12-16-4-2-3-5-21(16)34-22/h2-13H,1H3,(H,28,31)(H2,29,30,32,33)
InChIKeyVEEVPKAIKIDQRP-UHFFFAOYSA-N
XLogP6.53
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.53
LogP ≤ 56.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide?
The IUPAC name of 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide (CID 59023766) is 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide?
The canonical SMILES for 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide is Cc1[nH]nc(NC(=O)c2cc(-c3cc4ccccc4s3)c3[nH]ncc3c2)c1-c1ccc(F)cc1.
What is the InChIKey of 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide?
The InChIKey is VEEVPKAIKIDQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18FN5OS/c1-14-23(15-6-8-19(27)9-7-15)25(32-30-14)29-26(33)17-10-18-13-28-31-24(18)20(11-17)22-12-16-4-2-3-5-21(16)34-22/h2-13H,1H3,(H,28,31)(H2,29,30,32,33).
What are the key properties of 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide?
7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 6.53, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-benzothiophen-2-yl)-N-[4-(4-fluorophenyl)-5-methyl-1H-pyrazol-3-yl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 59023766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).