6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide

C29H27N5O3S — CID 46235476

IUPAC6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C29H27N5O3S/c35-28(26-18-21-3-1-2-4-25(21)38-26)31-22-8-5-19(6-9-22)20-7-10-23-24(17-20)32-33-27(23)29(36)30-11-12-34-13-15-37-16-14-34/h1-10,17-18H,11-16H2,(H,30,36)(H,31,35)(H,32,33)
InChIKeyMJEIXHCJBQJEMP-UHFFFAOYSA-N
MW525.63 g/mol
LogP4.76
Rot. Bonds7

About 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide

6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide (PubChem CID 46235476) has the molecular formula C29H27N5O3S and a molecular weight of 525.63 g/mol. Its IUPAC name is 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
PubChem CID46235476
Molecular FormulaC29H27N5O3S
Molecular Weight525.63 g/mol
Exact Mass525.18
IUPAC Name6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide
SMILESO=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1cc2ccccc2s1
InChIInChI=1S/C29H27N5O3S/c35-28(26-18-21-3-1-2-4-25(21)38-26)31-22-8-5-19(6-9-22)20-7-10-23-24(17-20)32-33-27(23)29(36)30-11-12-34-13-15-37-16-14-34/h1-10,17-18H,11-16H2,(H,30,36)(H,31,35)(H,32,33)
InChIKeyMJEIXHCJBQJEMP-UHFFFAOYSA-N
XLogP4.76
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.63
LogP ≤ 54.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide with MolForge

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Related Compounds

CID 71549884
CID 71549884
CID 58486295
CID 58486295
CID 44634845
CID 44634845
CID 44634847
CID 44634847
CID 127042130
CID 127042130
CID 156574583
CID 156574583
CID 42477824
CID 42477824
CID 134143273
CID 134143273
CID 46234071
CID 46234071
CID 46235474
CID 46235474
CID 46235620
CID 46235620
CID 46236101
CID 46236101

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The IUPAC name of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide (CID 46235476) is 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The canonical SMILES for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide is O=C(Nc1ccc(-c2ccc3c(C(=O)NCCN4CCOCC4)n[nH]c3c2)cc1)c1cc2ccccc2s1.
What is the InChIKey of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
The InChIKey is MJEIXHCJBQJEMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27N5O3S/c35-28(26-18-21-3-1-2-4-25(21)38-26)31-22-8-5-19(6-9-22)20-7-10-23-24(17-20)32-33-27(23)29(36)30-11-12-34-13-15-37-16-14-34/h1-10,17-18H,11-16H2,(H,30,36)(H,31,35)(H,32,33).
What are the key properties of 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide?
6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide has a molecular weight of 525.63 g/mol, XLogP of 4.76, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1-benzothiophene-2-carbonylamino)phenyl]-N-(2-morpholin-4-ylethyl)-1H-indazole-3-carboxamide is sourced from PubChem (CID 46235476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).