6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane

C30H30ClFN8O2 — CID 162520335

About 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane

6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane (PubChem CID 162520335) has the molecular formula C30H30ClFN8O2 and a molecular weight of 589.08 g/mol. Its IUPAC name is 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane
• PubChem CID: 162520335
• Molecular Formula: C30H30ClFN8O2
• Molecular Weight: 589.08 g/mol
• Exact Mass: 588.22
• IUPAC Name: 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane
• SMILES: CC.Cc1cc(C(C)n2cc(NC(=O)c3nc(-c4c(C#N)ccc(Cl)c4F)cnc3C)cn2)cnc1N1CCCC1=O
• InChI: InChI=1S/C28H24ClFN8O2.C2H6/c1-15-9-19(11-33-27(15)37-8-4-5-23(37)39)17(3)38-14-20(12-34-38)35-28(40)26-16(2)32-13-22(36-26)24-18(10-31)6-7-21(29)25(24)30;1-2/h6-7,9,11-14,17H,4-5,8H2,1-3H3,(H,35,40);1-2H3
• InChIKey: UUFGJHUITBSZEE-UHFFFAOYSA-N
• XLogP: 6.03
• TPSA: 129.69 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.08
LogP ≤ 5	6.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane?

The IUPAC name of 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane (CID 162520335) is 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane.

What is the SMILES notation for 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane?

The canonical SMILES for 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane is CC.Cc1cc(C(C)n2cc(NC(=O)c3nc(-c4c(C#N)ccc(Cl)c4F)cnc3C)cn2)cnc1N1CCCC1=O.

What is the InChIKey of 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane?

The InChIKey is UUFGJHUITBSZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN8O2.C2H6/c1-15-9-19(11-33-27(15)37-8-4-5-23(37)39)17(3)38-14-20(12-34-38)35-28(40)26-16(2)32-13-22(36-26)24-18(10-31)6-7-21(29)25(24)30;1-2/h6-7,9,11-14,17H,4-5,8H2,1-3H3,(H,35,40);1-2H3.

What are the key properties of 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane?

6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane has a molecular weight of 589.08 g/mol, XLogP of 6.03, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3-chloro-6-cyano-2-fluorophenyl)-3-methyl-N-[1-[1-[5-methyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]ethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 162520335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).