[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone

C29H34N8O3 — CID 142634494

About [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone

[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone (PubChem CID 142634494) has the molecular formula C29H34N8O3 and a molecular weight of 542.64 g/mol. Its IUPAC name is [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone
• PubChem CID: 142634494
• Molecular Formula: C29H34N8O3
• Molecular Weight: 542.64 g/mol
• Exact Mass: 542.28
• IUPAC Name: [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone
• SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cnccn4)CC3)cc2)CC1
• InChI: InChI=1S/C29H34N8O3/c1-21(2)33-24-4-3-9-32-26(24)34-12-14-35(15-13-34)27(38)22-5-7-23(8-6-22)28(39)36-16-18-37(19-17-36)29(40)25-20-30-10-11-31-25/h3-11,20-21,33H,12-19H2,1-2H3
• InChIKey: HYDKBRLSLSAKEW-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 114.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	542.64
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone?

The IUPAC name of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone (CID 142634494) is [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone.

What is the SMILES notation for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone?

The canonical SMILES for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone is CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(C(=O)c4cnccn4)CC3)cc2)CC1.

What is the InChIKey of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone?

The InChIKey is HYDKBRLSLSAKEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O3/c1-21(2)33-24-4-3-9-32-26(24)34-12-14-35(15-13-34)27(38)22-5-7-23(8-6-22)28(39)36-16-18-37(19-17-36)29(40)25-20-30-10-11-31-25/h3-11,20-21,33H,12-19H2,1-2H3.

What are the key properties of [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone?

[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone has a molecular weight of 542.64 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]-[4-[4-(pyrazine-2-carbonyl)piperazine-1-carbonyl]phenyl]methanone is sourced from PubChem (CID 142634494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).