2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C23H23ClF3N7O — CID 162591664

About 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 162591664) has the molecular formula C23H23ClF3N7O and a molecular weight of 505.93 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 162591664
• Molecular Formula: C23H23ClF3N7O
• Molecular Weight: 505.93 g/mol
• Exact Mass: 505.16
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)NCC4CCCN(CC(F)(F)F)C4)c3n2)c2ccc(Cl)cc21
• InChI: InChI=1S/C23H23ClF3N7O/c1-33-18-7-14(24)4-5-15(18)19(32-33)17-10-29-21-20(31-17)16(9-28-21)22(35)30-8-13-3-2-6-34(11-13)12-23(25,26)27/h4-5,7,9-10,13H,2-3,6,8,11-12H2,1H3,(H,28,29)(H,30,35)
• InChIKey: VZKCPWLGQNPGKU-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 91.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.93
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 162591664) is 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)NCC4CCCN(CC(F)(F)F)C4)c3n2)c2ccc(Cl)cc21.

What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is VZKCPWLGQNPGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF3N7O/c1-33-18-7-14(24)4-5-15(18)19(32-33)17-10-29-21-20(31-17)16(9-28-21)22(35)30-8-13-3-2-6-34(11-13)12-23(25,26)27/h4-5,7,9-10,13H,2-3,6,8,11-12H2,1H3,(H,28,29)(H,30,35).

What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 505.93 g/mol, XLogP of 4.17, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[[1-(2,2,2-trifluoroethyl)piperidin-3-yl]methyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 162591664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).