[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid

C28H20FN5O4 — CID 67113503

IUPAC[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C28H20FN5O4/c29-20-5-1-17(2-6-20)27(36)32-23-11-14-25-19(15-23)16-30-34(25)24-12-9-21(10-13-24)31-26(35)18-3-7-22(8-4-18)33-28(37)38/h1-16,33H,(H,31,35)(H,32,36)(H,37,38)
InChIKeyQJHRYRKSQYSWLJ-UHFFFAOYSA-N
MW509.50 g/mol
LogP5.76
Rot. Bonds6

About [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid

[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid (PubChem CID 67113503) has the molecular formula C28H20FN5O4 and a molecular weight of 509.50 g/mol. Its IUPAC name is [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid.

Molecular Properties

Compound Name[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
PubChem CID67113503
Molecular FormulaC28H20FN5O4
Molecular Weight509.50 g/mol
Exact Mass509.15
IUPAC Name[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(F)cc5)ccc43)cc2)cc1
InChIInChI=1S/C28H20FN5O4/c29-20-5-1-17(2-6-20)27(36)32-23-11-14-25-19(15-23)16-30-34(25)24-12-9-21(10-13-24)31-26(35)18-3-7-22(8-4-18)33-28(37)38/h1-16,33H,(H,31,35)(H,32,36)(H,37,38)
InChIKeyQJHRYRKSQYSWLJ-UHFFFAOYSA-N
XLogP5.76
TPSA125.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.50
LogP ≤ 55.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid with MolForge

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Related Compounds

3-[[1-(4-fluorophenyl)indazol-5-yl]carbamoyl]benzoic acid
CID 91433209
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridine-4-carboxamide
CID 67114039
N-chloro-1-(4-fluorophenyl)indazol-5-amine
CID 164606394
tert-butyl N-[1-[4-[[4-(dimethylamino)benzoyl]amino]phenyl]indazol-5-yl]carbamate
CID 67686467
N-[4-[5-[[4-(4-hydroxypiperidin-1-yl)benzoyl]amino]indazol-1-yl]phenyl]pyridazine-4-carboxamide
CID 67113553
N-[4-(5-hydroxyindazol-1-yl)phenyl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113330
N-[4-[5-[[4-(dimethylamino)benzoyl]amino]indazol-1-yl]phenyl]thiophene-2-carboxamide
CID 71040947
N-[1-[4-(cyclopropylmethylcarbamoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 67113684
1-(4-fluorophenyl)-6-methylindazole-5-carboxylic acid
CID 90242362
N-[1-[4-[[1-(aminomethyl)cyclopropanecarbonyl]amino]phenyl]indazol-5-yl]-4-morpholin-4-ylbenzamide
CID 67113374
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-[1-[4-(3-cyclopropylpropanoyl)phenyl]indazol-5-yl]-4-(4-hydroxypiperidin-1-yl)benzamide
CID 147606537

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid?
The IUPAC name of [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid (CID 67113503) is [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid.
What is the SMILES notation for [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid?
The canonical SMILES for [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid is O=C(O)Nc1ccc(C(=O)Nc2ccc(-n3ncc4cc(NC(=O)c5ccc(F)cc5)ccc43)cc2)cc1.
What is the InChIKey of [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid?
The InChIKey is QJHRYRKSQYSWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN5O4/c29-20-5-1-17(2-6-20)27(36)32-23-11-14-25-19(15-23)16-30-34(25)24-12-9-21(10-13-24)31-26(35)18-3-7-22(8-4-18)33-28(37)38/h1-16,33H,(H,31,35)(H,32,36)(H,37,38).
What are the key properties of [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid?
[4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid has a molecular weight of 509.50 g/mol, XLogP of 5.76, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-[5-[(4-fluorobenzoyl)amino]indazol-1-yl]phenyl]carbamoyl]phenyl]carbamic acid is sourced from PubChem (CID 67113503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).