5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide

C25H28N8O2 — CID 15986665

IUPAC5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(C(N)=O)c3N)cc2)c1
InChIInChI=1S/C25H28N8O2/c1-15-6-5-7-18(12-15)33-20(13-19(31-33)25(2,3)4)30-24(35)29-16-8-10-17(11-9-16)32-14-28-21(22(32)26)23(27)34/h5-14H,26H2,1-4H3,(H2,27,34)(H2,29,30,35)
InChIKeyHGQFXZAIDVDGGC-UHFFFAOYSA-N
MW472.55 g/mol
LogP3.99
Rot. Bonds5

About 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide

5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide (PubChem CID 15986665) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide
PubChem CID15986665
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide
SMILESCc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(C(N)=O)c3N)cc2)c1
InChIInChI=1S/C25H28N8O2/c1-15-6-5-7-18(12-15)33-20(13-19(31-33)25(2,3)4)30-24(35)29-16-8-10-17(11-9-16)32-14-28-21(22(32)26)23(27)34/h5-14H,26H2,1-4H3,(H2,27,34)(H2,29,30,35)
InChIKeyHGQFXZAIDVDGGC-UHFFFAOYSA-N
XLogP3.99
TPSA145.88 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(6-aminopurin-9-yl)phenyl]-3-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]urea
CID 15986479
[5-amino-1-[4-[[3-tert-butyl-1-(4-fluorophenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazol-4-yl] carbamate
CID 71278962
tert-butyl N-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]carbamate
CID 101043408
1-[1-(4-aminophenyl)-3-tert-butylpyrazol-5-yl]-3-phenylurea
CID 10871795
1-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-3-(2-hydroxyethyl)urea
CID 48741757
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
CID 71695585
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 162645586
4-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]-3-fluorophenoxy]pyridine-2-carboxamide
CID 58385355
N'-[[3-[3-tert-butyl-5-[(4-methylphenyl)carbamoylamino]pyrazol-1-yl]phenyl]methyl]-N,N'-dimethyloxamide;formaldehyde
CID 143177004
N-[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]-5-methyl-2-sulfamoylbenzamide
CID 154806807
1-[4-(benzimidazol-1-yl)phenyl]-3-[3-tert-butyl-1-(2-fluorophenyl)pyrazol-5-yl]urea
CID 130424406
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-(1H-indol-3-yl)phenyl]urea
CID 141145760

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide?
The IUPAC name of 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide (CID 15986665) is 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide?
The canonical SMILES for 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide is Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2ccc(-n3cnc(C(N)=O)c3N)cc2)c1.
What is the InChIKey of 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide?
The InChIKey is HGQFXZAIDVDGGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-15-6-5-7-18(12-15)33-20(13-19(31-33)25(2,3)4)30-24(35)29-16-8-10-17(11-9-16)32-14-28-21(22(32)26)23(27)34/h5-14H,26H2,1-4H3,(H2,27,34)(H2,29,30,35).
What are the key properties of 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide?
5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide has a molecular weight of 472.55 g/mol, XLogP of 3.99, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-[4-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]imidazole-4-carboxamide is sourced from PubChem (CID 15986665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).