3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

C23H20FN5O3S — CID 67398195

IUPAC3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12)c1cccc(F)c1
InChIInChI=1S/C23H20FN5O3S/c24-15-3-1-2-14(12-15)21(30)26-20-18-13-19(33-23(18)28-27-20)22(31)25-16-4-6-17(7-5-16)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H,25,31)(H2,26,27,28,30)
InChIKeyWOECNDJYHLXCJP-UHFFFAOYSA-N
MW465.51 g/mol
LogP4.10
Rot. Bonds5

About 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide

3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (PubChem CID 67398195) has the molecular formula C23H20FN5O3S and a molecular weight of 465.51 g/mol. Its IUPAC name is 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
PubChem CID67398195
Molecular FormulaC23H20FN5O3S
Molecular Weight465.51 g/mol
Exact Mass465.13
IUPAC Name3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
SMILESO=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12)c1cccc(F)c1
InChIInChI=1S/C23H20FN5O3S/c24-15-3-1-2-14(12-15)21(30)26-20-18-13-19(33-23(18)28-27-20)22(31)25-16-4-6-17(7-5-16)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H,25,31)(H2,26,27,28,30)
InChIKeyWOECNDJYHLXCJP-UHFFFAOYSA-N
XLogP4.10
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.51
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(2,4-dimorpholin-4-ylphenyl)-3-fluorobenzamide
CID 4824008
3-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]-N-(4-morpholin-4-ylphenyl)benzamide
CID 50826567
3-fluoro-N-[4-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 952383
3-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzamide
CID 6957194
N-(4-morpholin-4-ylphenyl)-5-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 155288065
3-fluoro-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]benzamide
CID 167766156
3-[(4-chlorobenzoyl)amino]-N-phenyl-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67401659
N-[2-(4-fluorophenyl)propan-2-yl]-3-[[4-(morpholin-4-ylmethyl)benzoyl]amino]-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 66784959
N-(4-morpholin-4-ylphenyl)-4-[3-[(4-morpholin-4-ylphenyl)carbamoyl]phenyl]-1,3-thiazole-2-carboxamide
CID 25165292
3-fluoro-N-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]benzamide
CID 112984547
3-[(4-tert-butylbenzoyl)amino]-N-(4-methylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide
CID 67399771
3-fluoro-N-[4-(4-pyridin-2-ylpiperazin-1-yl)phenyl]benzamide
CID 112984624

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The IUPAC name of 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide (CID 67398195) is 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The canonical SMILES for 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is O=C(Nc1[nH]nc2sc(C(=O)Nc3ccc(N4CCOCC4)cc3)cc12)c1cccc(F)c1.
What is the InChIKey of 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
The InChIKey is WOECNDJYHLXCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O3S/c24-15-3-1-2-14(12-15)21(30)26-20-18-13-19(33-23(18)28-27-20)22(31)25-16-4-6-17(7-5-16)29-8-10-32-11-9-29/h1-7,12-13H,8-11H2,(H,25,31)(H2,26,27,28,30).
What are the key properties of 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide?
3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide has a molecular weight of 465.51 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorobenzoyl)amino]-N-(4-morpholin-4-ylphenyl)-2H-thieno[2,3-c]pyrazole-5-carboxamide is sourced from PubChem (CID 67398195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).