2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C24H21ClN8O2 — CID 71288512

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288512) has the molecular formula C24H21ClN8O2 and a molecular weight of 488.94 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71288512
• Molecular Formula: C24H21ClN8O2
• Molecular Weight: 488.94 g/mol
• Exact Mass: 488.15
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C#N)C4)C4CC4)c3n2)c2ccc(Cl)cc21
• InChI: InChI=1S/C24H21ClN8O2/c1-32-18-6-14(25)4-5-15(18)20(31-32)17-9-28-22-21(29-17)16(8-27-22)23(34)30-19(13-2-3-13)24(35)33-10-12(7-26)11-33/h4-6,8-9,12-13,19H,2-3,10-11H2,1H3,(H,27,28)(H,30,34)/t19-/m1/s1
• InChIKey: FTIQSPABOXACSR-LJQANCHMSA-N
• XLogP: 2.66
• TPSA: 132.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.94
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288512) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C#N)C4)C4CC4)c3n2)c2ccc(Cl)cc21.

What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is FTIQSPABOXACSR-LJQANCHMSA-N. The full InChI is InChI=1S/C24H21ClN8O2/c1-32-18-6-14(25)4-5-15(18)20(31-32)17-9-28-22-21(29-17)16(8-27-22)23(34)30-19(13-2-3-13)24(35)33-10-12(7-26)11-33/h4-6,8-9,12-13,19H,2-3,10-11H2,1H3,(H,27,28)(H,30,34)/t19-/m1/s1.

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

2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 488.94 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-1-methylindazol-3-yl)-N-[(1R)-2-(3-cyanoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).