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

C23H23ClN8O2 — CID 71288266

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

N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71288266) has the molecular formula C23H23ClN8O2 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71288266
• Molecular Formula: C23H23ClN8O2
• Molecular Weight: 478.94 g/mol
• Exact Mass: 478.16
• IUPAC Name: N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(N)C4)C4CC4)c3n2)c2ccc(Cl)cc21
• InChI: InChI=1S/C23H23ClN8O2/c1-31-17-6-12(24)4-5-14(17)19(30-31)16-8-27-21-20(28-16)15(7-26-21)22(33)29-18(11-2-3-11)23(34)32-9-13(25)10-32/h4-8,11,13,18H,2-3,9-10,25H2,1H3,(H,26,27)(H,29,33)/t18-/m1/s1
• InChIKey: PYRVSKNXMHBDKH-GOSISDBHSA-N
• XLogP: 1.84
• TPSA: 134.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.94
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71288266) is N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

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

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

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

The InChIKey is PYRVSKNXMHBDKH-GOSISDBHSA-N. The full InChI is InChI=1S/C23H23ClN8O2/c1-31-17-6-12(24)4-5-14(17)19(30-31)16-8-27-21-20(28-16)15(7-26-21)22(33)29-18(11-2-3-11)23(34)32-9-13(25)10-32/h4-8,11,13,18H,2-3,9-10,25H2,1H3,(H,26,27)(H,29,33)/t18-/m1/s1.

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

N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 478.94 g/mol, XLogP of 1.84, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R)-2-(3-aminoazetidin-1-yl)-1-cyclopropyl-2-oxoethyl]-2-(6-chloro-1-methylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71288266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).