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

C31H39N9O2 — CID 147867993

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

5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide (PubChem CID 147867993) has the molecular formula C31H39N9O2 and a molecular weight of 569.71 g/mol. Its IUPAC name is 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide
• PubChem CID: 147867993
• Molecular Formula: C31H39N9O2
• Molecular Weight: 569.71 g/mol
• Exact Mass: 569.32
• IUPAC Name: 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide
• SMILES: C[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cn2)CCCN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cn2)n1
• InChI: InChI=1S/C31H39N9O2/c1-20-22(16-26(41)25-9-7-23(17-33-25)21-5-6-21)4-3-11-40(20)28-19-35-29(30(32)42)31(37-28)36-27-10-8-24(18-34-27)39-14-12-38(2)13-15-39/h7-10,17-22H,3-6,11-16H2,1-2H3,(H2,32,42)(H,34,36,37)/t20-,22+/m1/s1
• InChIKey: HYAXPHBKKNBIBJ-IRLDBZIGSA-N
• XLogP: 3.62
• TPSA: 133.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	569.71
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

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-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide?

The IUPAC name of 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide (CID 147867993) is 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]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-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide?

The canonical SMILES for 5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide is C[C@@H]1[C@H](CC(=O)c2ccc(C3CC3)cn2)CCCN1c1cnc(C(N)=O)c(Nc2ccc(N3CCN(C)CC3)cn2)n1.

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

The InChIKey is HYAXPHBKKNBIBJ-IRLDBZIGSA-N. The full InChI is InChI=1S/C31H39N9O2/c1-20-22(16-26(41)25-9-7-23(17-33-25)21-5-6-21)4-3-11-40(20)28-19-35-29(30(32)42)31(37-28)36-27-10-8-24(18-34-27)39-14-12-38(2)13-15-39/h7-10,17-22H,3-6,11-16H2,1-2H3,(H2,32,42)(H,34,36,37)/t20-,22+/m1/s1.

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

5-[(2R,3S)-3-[2-(5-cyclopropyl-2-pyridinyl)-2-oxoethyl]-2-methylpiperidin-1-yl]-3-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide has a molecular weight of 569.71 g/mol, XLogP of 3.62, 9 rotatable bonds, 2 hydrogen bond donors, and 10 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-[[5-(4-methylpiperazin-1-yl)-2-pyridinyl]amino]pyrazine-2-carboxamide is sourced from PubChem (CID 147867993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).