6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane

C30H31ClF3N7O3 — CID 162520057

About 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane (PubChem CID 162520057) has the molecular formula C30H31ClF3N7O3 and a molecular weight of 630.07 g/mol. Its IUPAC name is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane.

Molecular Properties

• Compound Name: 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane
• PubChem CID: 162520057
• Molecular Formula: C30H31ClF3N7O3
• Molecular Weight: 630.07 g/mol
• Exact Mass: 629.21
• IUPAC Name: 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane
• SMILES: CC.Cc1c(C(CO)n2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc(N2CCCC2=O)c1C
• InChI: InChI=1S/C28H25ClF3N7O3.C2H6/c1-14-15(2)27(38-7-3-4-23(38)41)34-9-18(14)22(13-40)39-12-16(8-35-39)36-28(42)21-11-33-10-20(37-21)24-17(26(31)32)5-6-19(29)25(24)30;1-2/h5-6,8-12,22,26,40H,3-4,7,13H2,1-2H3,(H,36,42);1-2H3
• InChIKey: RDGKNCOHVAXCRD-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 126.13 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	630.07
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane (CID 162520057) is 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane.

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

The canonical SMILES for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane is CC.Cc1c(C(CO)n2cc(NC(=O)c3cncc(-c4c(C(F)F)ccc(Cl)c4F)n3)cn2)cnc(N2CCCC2=O)c1C.

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

The InChIKey is RDGKNCOHVAXCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25ClF3N7O3.C2H6/c1-14-15(2)27(38-7-3-4-23(38)41)34-9-18(14)22(13-40)39-12-16(8-35-39)36-28(42)21-11-33-10-20(37-21)24-17(26(31)32)5-6-19(29)25(24)30;1-2/h5-6,8-12,22,26,40H,3-4,7,13H2,1-2H3,(H,36,42);1-2H3.

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

6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane has a molecular weight of 630.07 g/mol, XLogP of 6.07, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-chloro-6-(difluoromethyl)-2-fluorophenyl]-N-[1-[1-[4,5-dimethyl-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-hydroxyethyl]pyrazol-4-yl]pyrazine-2-carboxamide;ethane is sourced from PubChem (CID 162520057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).