N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

C31H34Cl2N4O3 — CID 90923942

About N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide

N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (PubChem CID 90923942) has the molecular formula C31H34Cl2N4O3 and a molecular weight of 581.54 g/mol. Its IUPAC name is N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• PubChem CID: 90923942
• Molecular Formula: C31H34Cl2N4O3
• Molecular Weight: 581.54 g/mol
• Exact Mass: 580.20
• IUPAC Name: N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide
• SMILES: CC1C2CN(C(=O)C3(c4ccc(Cl)cc4Cl)CC3)C1CN2C(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C
• InChI: InChI=1S/C31H34Cl2N4O3/c1-17-24-16-37(29(40)31(11-12-31)20-10-9-19(32)14-21(20)33)25(17)15-36(24)28(39)26(30(2,3)4)35-27(38)23-13-18-7-5-6-8-22(18)34-23/h5-10,13-14,17,24-26,34H,11-12,15-16H2,1-4H3,(H,35,38)
• InChIKey: KZFBCSOJAPDSNP-UHFFFAOYSA-N
• XLogP: 5.41
• TPSA: 85.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.54
LogP ≤ 5	5.41
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The IUPAC name of N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide (CID 90923942) is N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide.

What is the SMILES notation for N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The canonical SMILES for N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is CC1C2CN(C(=O)C3(c4ccc(Cl)cc4Cl)CC3)C1CN2C(=O)C(NC(=O)c1cc2ccccc2[nH]1)C(C)(C)C.

What is the InChIKey of N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

The InChIKey is KZFBCSOJAPDSNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34Cl2N4O3/c1-17-24-16-37(29(40)31(11-12-31)20-10-9-19(32)14-21(20)33)25(17)15-36(24)28(39)26(30(2,3)4)35-27(38)23-13-18-7-5-6-8-22(18)34-23/h5-10,13-14,17,24-26,34H,11-12,15-16H2,1-4H3,(H,35,38).

What are the key properties of N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide?

N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide has a molecular weight of 581.54 g/mol, XLogP of 5.41, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[5-[1-(2,4-dichlorophenyl)cyclopropanecarbonyl]-7-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-3,3-dimethyl-1-oxobutan-2-yl]-1H-indole-2-carboxamide is sourced from PubChem (CID 90923942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).