[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate

C23H22FN5O3 — CID 90675965

IUPAC[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cc(-c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)nc1N
InChIInChI=1S/C23H22FN5O3/c1-23(2,3)21(31)32-29-12-19(28-22(29)25)13-4-7-16(8-5-13)26-20(30)18-11-14-10-15(24)6-9-17(14)27-18/h4-12,27H,1-3H3,(H2,25,28)(H,26,30)
InChIKeyMATCBZRTNPEENQ-UHFFFAOYSA-N
MW435.46 g/mol
LogP4.01
Rot. Bonds4

About [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate

[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate (PubChem CID 90675965) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate
PubChem CID90675965
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)On1cc(-c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)nc1N
InChIInChI=1S/C23H22FN5O3/c1-23(2,3)21(31)32-29-12-19(28-22(29)25)13-4-7-16(8-5-13)26-20(30)18-11-14-10-15(24)6-9-17(14)27-18/h4-12,27H,1-3H3,(H2,25,28)(H,26,30)
InChIKeyMATCBZRTNPEENQ-UHFFFAOYSA-N
XLogP4.01
TPSA115.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate with MolForge

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Related Compounds

tert-butyl 2-amino-4-[3-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazole-1-carboxylate
CID 122191316
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
5-fluoro-N-[4-[2-(4-methoxyanilino)pyrimidin-4-yl]phenyl]-1H-indole-2-carboxamide
CID 44525485
ethyl N-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]carbamate
CID 60515778
5-amino-N-(4-fluorophenyl)-1H-indole-2-carboxamide
CID 62058585
5-fluoro-N-[4-(2-methoxyethoxy)phenyl]-1H-indole-2-carboxamide
CID 46433700
5-fluoro-N-[4-(hydroxymethyl)phenyl]-1H-indole-2-carboxamide
CID 21014433
5-fluoro-N-quinolin-6-yl-1H-indole-2-carboxamide
CID 4905152
5-amino-N-(4-iodophenyl)-1H-indole-2-carboxamide
CID 62057441
N-(2,4-dimethylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46555971
N-(2-ethoxyphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 113207170
N-[6-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-3-pyridinyl]-5-fluoro-1H-indole-2-carboxamide
CID 51965149

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate (CID 90675965) is [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)On1cc(-c2ccc(NC(=O)c3cc4cc(F)ccc4[nH]3)cc2)nc1N.
What is the InChIKey of [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate?
The InChIKey is MATCBZRTNPEENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c1-23(2,3)21(31)32-29-12-19(28-22(29)25)13-4-7-16(8-5-13)26-20(30)18-11-14-10-15(24)6-9-17(14)27-18/h4-12,27H,1-3H3,(H2,25,28)(H,26,30).
What are the key properties of [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate?
[2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate has a molecular weight of 435.46 g/mol, XLogP of 4.01, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-[4-[(5-fluoro-1H-indole-2-carbonyl)amino]phenyl]imidazol-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 90675965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).