7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide

C25H28N6O2 — CID 71459744

IUPAC7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c2[nH]1
InChIInChI=1S/C25H28N6O2/c1-15-9-11-17(12-10-15)31-21(14-20(30-31)25(2,3)4)29-24(33)28-18-8-6-7-16-13-19(23(32)26-5)27-22(16)18/h6-14,27H,1-5H3,(H,26,32)(H2,28,29,33)
InChIKeyYQRJOMYISHUKRA-UHFFFAOYSA-N
MW444.54 g/mol
LogP4.96
Rot. Bonds4

About 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide

7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide (PubChem CID 71459744) has the molecular formula C25H28N6O2 and a molecular weight of 444.54 g/mol. Its IUPAC name is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide
PubChem CID71459744
Molecular FormulaC25H28N6O2
Molecular Weight444.54 g/mol
Exact Mass444.23
IUPAC Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide
SMILESCNC(=O)c1cc2cccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c2[nH]1
InChIInChI=1S/C25H28N6O2/c1-15-9-11-17(12-10-15)31-21(14-20(30-31)25(2,3)4)29-24(33)28-18-8-6-7-16-13-19(23(32)26-5)27-22(16)18/h6-14,27H,1-5H3,(H,26,32)(H2,28,29,33)
InChIKeyYQRJOMYISHUKRA-UHFFFAOYSA-N
XLogP4.96
TPSA103.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 54.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide?
The IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide (CID 71459744) is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide?
The canonical SMILES for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide is CNC(=O)c1cc2cccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c2[nH]1.
What is the InChIKey of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide?
The InChIKey is YQRJOMYISHUKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N6O2/c1-15-9-11-17(12-10-15)31-21(14-20(30-31)25(2,3)4)29-24(33)28-18-8-6-7-16-13-19(23(32)26-5)27-22(16)18/h6-14,27H,1-5H3,(H,26,32)(H2,28,29,33).
What are the key properties of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide?
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide has a molecular weight of 444.54 g/mol, XLogP of 4.96, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-1H-indole-2-carboxamide is sourced from PubChem (CID 71459744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).