[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate

C24H25FN8O3 — CID 71278962

IUPAC[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H25FN8O3/c1-24(2,3)18-12-19(33(31-18)17-8-4-14(25)5-9-17)30-23(35)29-15-6-10-16(11-7-15)32-13-28-21(20(32)26)36-22(27)34/h4-13H,26H2,1-3H3,(H2,27,34)(H2,29,30,35)
InChIKeySZCUDEVFHSKOBN-UHFFFAOYSA-N
MW492.52 g/mol
LogP4.18
Rot. Bonds5

About [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate

[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate (PubChem CID 71278962) has the molecular formula C24H25FN8O3 and a molecular weight of 492.52 g/mol. Its IUPAC name is [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate.

Molecular Properties

Compound Name[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate
PubChem CID71278962
Molecular FormulaC24H25FN8O3
Molecular Weight492.52 g/mol
Exact Mass492.20
IUPAC Name[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate
SMILESCC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C24H25FN8O3/c1-24(2,3)18-12-19(33(31-18)17-8-4-14(25)5-9-17)30-23(35)29-15-6-10-16(11-7-15)32-13-28-21(20(32)26)36-22(27)34/h4-13H,26H2,1-3H3,(H2,27,34)(H2,29,30,35)
InChIKeySZCUDEVFHSKOBN-UHFFFAOYSA-N
XLogP4.18
TPSA155.11 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.52
LogP ≤ 54.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide
CID 15986665
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
1-[4-(benzimidazol-1-yl)phenyl]-3-[3-tert-butyl-1-(2-fluorophenyl)pyrazol-5-yl]urea
CID 130424406
1-[4-(6-aminopurin-9-yl)phenyl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea
CID 15986479
1-[3-tert-butyl-1-(4-nitrophenyl)pyrazol-5-yl]-3-(4-chlorophenyl)urea
CID 42730474
1-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-3-[4-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]oxyphenyl]urea
CID 11721010
4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]butanoic acid
CID 122075911
N-[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 43072206
[1-[4-[3-tert-butyl-5-[(4-pyridin-4-yloxyphenyl)carbamoylamino]pyrazol-1-yl]phenoxy]-3,3-dimethylbutan-2-yl] carbamate
CID 67221458
1-[4-(6-amino-8-methylpurin-9-yl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea
CID 15986300
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
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Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate?
The IUPAC name of [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate (CID 71278962) is [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate.
What is the SMILES notation for [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate?
The canonical SMILES for [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate is CC(C)(C)c1cc(NC(=O)Nc2ccc(-n3cnc(OC(N)=O)c3N)cc2)n(-c2ccc(F)cc2)n1.
What is the InChIKey of [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate?
The InChIKey is SZCUDEVFHSKOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O3/c1-24(2,3)18-12-19(33(31-18)17-8-4-14(25)5-9-17)30-23(35)29-15-6-10-16(11-7-15)32-13-28-21(20(32)26)36-22(27)34/h4-13H,26H2,1-3H3,(H2,27,34)(H2,29,30,35).
What are the key properties of [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate?
[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate has a molecular weight of 492.52 g/mol, XLogP of 4.18, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate is sourced from PubChem (CID 71278962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).