N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide

C27H26ClFN4O — CID 67234284

About N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide

N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide (PubChem CID 67234284) has the molecular formula C27H26ClFN4O and a molecular weight of 476.98 g/mol. Its IUPAC name is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
• PubChem CID: 67234284
• Molecular Formula: C27H26ClFN4O
• Molecular Weight: 476.98 g/mol
• Exact Mass: 476.18
• IUPAC Name: N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide
• SMILES: Cc1cccc(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(Cl)cc23)CC2CC2)c1C
• InChI: InChI=1S/C27H26ClFN4O/c1-16-4-3-5-20(17(16)2)25-26(31-10-9-30-25)27(34)33(15-18-6-7-18)11-8-19-14-32-24-13-23(29)22(28)12-21(19)24/h3-5,9-10,12-14,18,32H,6-8,11,15H2,1-2H3
• InChIKey: FAZAWOMPBDALDE-UHFFFAOYSA-N
• XLogP: 6.13
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	476.98
LogP ≤ 5	6.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide?

The IUPAC name of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide (CID 67234284) is N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide.

What is the SMILES notation for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide?

The canonical SMILES for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide is Cc1cccc(-c2nccnc2C(=O)N(CCc2c[nH]c3cc(F)c(Cl)cc23)CC2CC2)c1C.

What is the InChIKey of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide?

The InChIKey is FAZAWOMPBDALDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26ClFN4O/c1-16-4-3-5-20(17(16)2)25-26(31-10-9-30-25)27(34)33(15-18-6-7-18)11-8-19-14-32-24-13-23(29)22(28)12-21(19)24/h3-5,9-10,12-14,18,32H,6-8,11,15H2,1-2H3.

What are the key properties of N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide?

N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide has a molecular weight of 476.98 g/mol, XLogP of 6.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(5-chloro-6-fluoro-1H-indol-3-yl)ethyl]-N-(cyclopropylmethyl)-3-(2,3-dimethylphenyl)pyrazine-2-carboxamide is sourced from PubChem (CID 67234284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).