5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide

C26H24BrN5O5 — CID 117076189

IUPAC5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NC(=O)c4ccc(Br)o4)cn3)c2)ccc1N1CCOCC1
InChIInChI=1S/C26H24BrN5O5/c1-35-23-14-18(5-6-21(23)31-9-11-36-12-10-31)29-25(33)17-3-2-4-20(13-17)32-16-19(15-28-32)30-26(34)22-7-8-24(27)37-22/h2-8,13-16H,9-12H2,1H3,(H,29,33)(H,30,34)
InChIKeyZWTTWEHWLFKIHT-UHFFFAOYSA-N
MW566.41 g/mol
LogP4.58
Rot. Bonds7

About 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide

5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide (PubChem CID 117076189) has the molecular formula C26H24BrN5O5 and a molecular weight of 566.41 g/mol. Its IUPAC name is 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide
PubChem CID117076189
Molecular FormulaC26H24BrN5O5
Molecular Weight566.41 g/mol
Exact Mass565.10
IUPAC Name5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(-n3cc(NC(=O)c4ccc(Br)o4)cn3)c2)ccc1N1CCOCC1
InChIInChI=1S/C26H24BrN5O5/c1-35-23-14-18(5-6-21(23)31-9-11-36-12-10-31)29-25(33)17-3-2-4-20(13-17)32-16-19(15-28-32)30-26(34)22-7-8-24(27)37-22/h2-8,13-16H,9-12H2,1H3,(H,29,33)(H,30,34)
InChIKeyZWTTWEHWLFKIHT-UHFFFAOYSA-N
XLogP4.58
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500566.41
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]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

Related Compounds

5-bromo-N-[3-[(3,4-dimethoxyphenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 46488415
5-bromo-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]furan-2-carboxamide
CID 7686704
5-bromo-N-[4-[2-(3-morpholin-4-ylanilino)-2-oxoethyl]phenyl]furan-2-carboxamide
CID 55951161
N-(3-amino-4-morpholin-4-ylphenyl)-3-methoxybenzamide
CID 28688979
5-bromo-N-[4-methoxy-3-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 46323224
3-[4-[(2-bromophenyl)carbamothioylamino]pyrazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 117076288
3-methoxy-N-(4-morpholin-4-ylphenyl)benzamide
CID 795014
5-bromo-N-(2-morpholin-4-ylpyrimidin-5-yl)furan-2-carboxamide
CID 53164805
4-bromo-N-(3-fluoro-4-morpholin-4-ylphenyl)-3,5-dimethoxybenzamide
CID 56500087
3-bromo-N-(3-chloro-4-morpholin-4-ylphenyl)benzamide
CID 1114261
5-bromo-N-[4-(4-bromopyrazol-1-yl)phenyl]furan-2-carboxamide
CID 35537874
5-bromo-N-[4-[(3-methylbenzoyl)amino]phenyl]furan-2-carboxamide
CID 1047401

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide?
The IUPAC name of 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide (CID 117076189) is 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide?
The canonical SMILES for 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide is COc1cc(NC(=O)c2cccc(-n3cc(NC(=O)c4ccc(Br)o4)cn3)c2)ccc1N1CCOCC1.
What is the InChIKey of 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide?
The InChIKey is ZWTTWEHWLFKIHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24BrN5O5/c1-35-23-14-18(5-6-21(23)31-9-11-36-12-10-31)29-25(33)17-3-2-4-20(13-17)32-16-19(15-28-32)30-26(34)22-7-8-24(27)37-22/h2-8,13-16H,9-12H2,1H3,(H,29,33)(H,30,34).
What are the key properties of 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide?
5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide has a molecular weight of 566.41 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-[3-[(3-methoxy-4-morpholin-4-ylphenyl)carbamoyl]phenyl]pyrazol-4-yl]furan-2-carboxamide is sourced from PubChem (CID 117076189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).