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

C27H32N6O2 — CID 70678492

IUPAC7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)NC(C)C)[nH]c23)cc1
InChIInChI=1S/C27H32N6O2/c1-16(2)28-25(34)21-14-18-8-7-9-20(24(18)29-21)30-26(35)31-23-15-22(27(4,5)6)32-33(23)19-12-10-17(3)11-13-19/h7-16,29H,1-6H3,(H,28,34)(H2,30,31,35)
InChIKeyWGABQSVUYBMTBW-UHFFFAOYSA-N
MW472.59 g/mol
LogP5.74
Rot. Bonds5

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

7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide (PubChem CID 70678492) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide
PubChem CID70678492
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide
SMILESCc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)NC(C)C)[nH]c23)cc1
InChIInChI=1S/C27H32N6O2/c1-16(2)28-25(34)21-14-18-8-7-9-20(24(18)29-21)30-26(35)31-23-15-22(27(4,5)6)32-33(23)19-12-10-17(3)11-13-19/h7-16,29H,1-6H3,(H,28,34)(H2,30,31,35)
InChIKeyWGABQSVUYBMTBW-UHFFFAOYSA-N
XLogP5.74
TPSA103.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.59
LogP ≤ 55.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-benzylbenzimidazol-5-yl)-1H-pyrazol-3-yl]-4-[(1-methylpiperidin-4-yl)amino]benzamide
CID 153524754
7-acetamido-N-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1H-indole-2-carboxamide
CID 155671004
6-[(2-ethyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165414999
6-[(1,5-dimethylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415011
6-[(2-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415095
6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415144
6-[(1-tert-butyl-5-methylpyrazole-3-carbonyl)amino]-N-methyl-2-phenyl-3H-benzimidazole-5-carboxamide
CID 165415180
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-(pyrrolidine-1-carbonyl)-1H-indol-7-yl]urea
CID 71450722
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-(3-ethoxypropyl)-1H-indole-2-carboxamide
CID 71452514
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[2-(2,7-diazaspiro[4.4]nonane-2-carbonyl)-1H-indol-7-yl]urea
CID 71454271
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-(3-chlorophenyl)-1H-indole-2-carboxamide
CID 71454308
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-methyl-N-(2-pyridin-2-ylethyl)-1H-indole-2-carboxamide
CID 71457834

Frequently Asked Questions

What is the IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide?
The IUPAC name of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide (CID 70678492) is 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide.
What is the SMILES notation for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide?
The canonical SMILES for 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide is Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc3cc(C(=O)NC(C)C)[nH]c23)cc1.
What is the InChIKey of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide?
The InChIKey is WGABQSVUYBMTBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c1-16(2)28-25(34)21-14-18-8-7-9-20(24(18)29-21)30-26(35)31-23-15-22(27(4,5)6)32-33(23)19-12-10-17(3)11-13-19/h7-16,29H,1-6H3,(H,28,34)(H2,30,31,35).
What are the key properties of 7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide?
7-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]-N-propan-2-yl-1H-indole-2-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 5.74, 5 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-propan-2-yl-1H-indole-2-carboxamide is sourced from PubChem (CID 70678492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).