5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

C25H30N8O2 — CID 161025913

About 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide

5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (PubChem CID 161025913) has the molecular formula C25H30N8O2 and a molecular weight of 474.57 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• PubChem CID: 161025913
• Molecular Formula: C25H30N8O2
• Molecular Weight: 474.57 g/mol
• Exact Mass: 474.25
• IUPAC Name: 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide
• SMILES: C[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1
• InChI: InChI=1S/C25H30N8O2/c1-15-17(10-21(34)20-8-7-18(11-27-20)16-5-6-16)4-3-9-33(15)22-13-28-23(24(26)35)25(31-22)30-19-12-29-32(2)14-19/h7-8,11-17H,3-6,9-10H2,1-2H3,(H2,26,35)(H,30,31)/t15-,17+/m1/s1
• InChIKey: TYYWAYJJTLHJLW-WBVHZDCISA-N
• XLogP: 3.20
• TPSA: 131.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.57
LogP ≤ 5	3.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide (CID 161025913) is 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide.

What is the SMILES notation for 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cn2)CCCN1c1cnc(C(N)=O)c(Nc2cnn(C)c2)n1.

What is the InChIKey of 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

The InChIKey is TYYWAYJJTLHJLW-WBVHZDCISA-N. The full InChI is InChI=1S/C25H30N8O2/c1-15-17(10-21(34)20-8-7-18(11-27-20)16-5-6-16)4-3-9-33(15)22-13-28-23(24(26)35)25(31-22)30-19-12-29-32(2)14-19/h7-8,11-17H,3-6,9-10H2,1-2H3,(H2,26,35)(H,30,31)/t15-,17+/m1/s1.

What are the key properties of 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide?

5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide has a molecular weight of 474.57 g/mol, XLogP of 3.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[(1-methylpyrazol-4-yl)amino]pyrazine-2-carboxamide is sourced from PubChem (CID 161025913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).