2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C27H29ClN8O2 — CID 71286167

About 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71286167) has the molecular formula C27H29ClN8O2 and a molecular weight of 533.04 g/mol. Its IUPAC name is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• PubChem CID: 71286167
• Molecular Formula: C27H29ClN8O2
• Molecular Weight: 533.04 g/mol
• Exact Mass: 532.21
• IUPAC Name: 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
• SMILES: Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(C#N)CC4)C(C)(C)C)c3n2)c2ccc(Cl)cc21
• InChI: InChI=1S/C27H29ClN8O2/c1-27(2,3)23(26(38)36-9-7-15(12-29)8-10-36)33-25(37)18-13-30-24-22(18)32-19(14-31-24)21-17-6-5-16(28)11-20(17)35(4)34-21/h5-6,11,13-15,23H,7-10H2,1-4H3,(H,30,31)(H,33,37)/t23-/m0/s1
• InChIKey: YCWXVJUUBVXRAF-QHCPKHFHSA-N
• XLogP: 4.07
• TPSA: 132.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	533.04
LogP ≤ 5	4.07
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-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The IUPAC name of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71286167) is 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

What is the SMILES notation for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The canonical SMILES for 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is Cn1nc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CCC(C#N)CC4)C(C)(C)C)c3n2)c2ccc(Cl)cc21.

What is the InChIKey of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

The InChIKey is YCWXVJUUBVXRAF-QHCPKHFHSA-N. The full InChI is InChI=1S/C27H29ClN8O2/c1-27(2,3)23(26(38)36-9-7-15(12-29)8-10-36)33-25(37)18-13-30-24-22(18)32-19(14-31-24)21-17-6-5-16(28)11-20(17)35(4)34-21/h5-6,11,13-15,23H,7-10H2,1-4H3,(H,30,31)(H,33,37)/t23-/m0/s1.

What are the key properties of 2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?

2-(6-chloro-1-methylindazol-3-yl)-N-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 533.04 g/mol, XLogP of 4.07, 4 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-[(2R)-1-(4-cyanopiperidin-1-yl)-3,3-dimethyl-1-oxobutan-2-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71286167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).