N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide

C26H27N5O3S — CID 117077351

IUPACN-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide
SMILESO=C(Cc1cccs1)Nc1ccc2cnn(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2c1
InChIInChI=1S/C26H27N5O3S/c32-25(17-23-5-2-14-35-23)29-21-7-6-20-18-28-31(24(20)16-21)22-4-1-3-19(15-22)26(33)27-8-9-30-10-12-34-13-11-30/h1-7,14-16,18H,8-13,17H2,(H,27,33)(H,29,32)
InChIKeyKFEVDRYDXHUREN-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.33
Rot. Bonds8

About N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide

N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide (PubChem CID 117077351) has the molecular formula C26H27N5O3S and a molecular weight of 489.60 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide
PubChem CID117077351
Molecular FormulaC26H27N5O3S
Molecular Weight489.60 g/mol
Exact Mass489.18
IUPAC NameN-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide
SMILESO=C(Cc1cccs1)Nc1ccc2cnn(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2c1
InChIInChI=1S/C26H27N5O3S/c32-25(17-23-5-2-14-35-23)29-21-7-6-20-18-28-31(24(20)16-21)22-4-1-3-19(15-22)26(33)27-8-9-30-10-12-34-13-11-30/h1-7,14-16,18H,8-13,17H2,(H,27,33)(H,29,32)
InChIKeyKFEVDRYDXHUREN-UHFFFAOYSA-N
XLogP3.33
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2-morpholin-4-ylethyl)-3-(6-pyridin-4-ylindazol-1-yl)benzamide
CID 117076700
3-[5-(3-methylanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117075307
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-2-thiophen-2-ylacetamide
CID 113010856
3-[5-(2-fluoro-6-nitroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)benzamide
CID 117076085
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3-morpholin-4-ylpropyl)benzamide
CID 71602771
3-(5-anilinopyrazolo[3,4-b]pyridin-1-yl)-N-(2-morpholin-4-ylethyl)benzamide;2,2,2-trifluoroacetic acid
CID 117076338
4-(4-hydroxypiperidin-1-yl)-N-[1-[4-(2-morpholin-4-ylethylcarbamoyl)phenyl]indazol-5-yl]benzamide
CID 67112996
4-[5-(2,6-dichloroanilino)indazol-1-yl]-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 71602865
3-(2-methylpropanoylamino)-N-(2-morpholin-4-ylethyl)benzamide
CID 4051447
N-(2-morpholin-4-ylethyl)-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119696
3-N-(3-acetylphenyl)-1-N-(2-morpholin-4-ylethyl)benzene-1,3-dicarboxamide
CID 109053343
3-acetamido-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]benzamide
CID 108541843

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide (CID 117077351) is N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide is O=C(Cc1cccs1)Nc1ccc2cnn(-c3cccc(C(=O)NCCN4CCOCC4)c3)c2c1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide?
The InChIKey is KFEVDRYDXHUREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O3S/c32-25(17-23-5-2-14-35-23)29-21-7-6-20-18-28-31(24(20)16-21)22-4-1-3-19(15-22)26(33)27-8-9-30-10-12-34-13-11-30/h1-7,14-16,18H,8-13,17H2,(H,27,33)(H,29,32).
What are the key properties of N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide?
N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide has a molecular weight of 489.60 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-3-[6-[(2-thiophen-2-ylacetyl)amino]indazol-1-yl]benzamide is sourced from PubChem (CID 117077351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).