(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone

C26H35N7O2 — CID 142640730

About (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone

(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone (PubChem CID 142640730) has the molecular formula C26H35N7O2 and a molecular weight of 477.61 g/mol. Its IUPAC name is (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone.

Molecular Properties

• Compound Name: (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone
• PubChem CID: 142640730
• Molecular Formula: C26H35N7O2
• Molecular Weight: 477.61 g/mol
• Exact Mass: 477.29
• IUPAC Name: (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone
• SMILES: CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)CC3)cn2)CC1
• InChI: InChI=1S/C26H35N7O2/c1-19(2)29-22-4-3-9-27-24(22)31-12-16-33(17-13-31)26(35)23-8-5-20(18-28-23)25(34)32-14-10-30(11-15-32)21-6-7-21/h3-5,8-9,18-19,21,29H,6-7,10-17H2,1-2H3
• InChIKey: YUHAHUNGRXNTBD-UHFFFAOYSA-N
• XLogP: 2.18
• TPSA: 84.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	477.61
LogP ≤ 5	2.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone?

The IUPAC name of (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone (CID 142640730) is (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone.

What is the SMILES notation for (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone?

The canonical SMILES for (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone is CC(C)Nc1cccnc1N1CCN(C(=O)c2ccc(C(=O)N3CCN(C4CC4)CC3)cn2)CC1.

What is the InChIKey of (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone?

The InChIKey is YUHAHUNGRXNTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N7O2/c1-19(2)29-22-4-3-9-27-24(22)31-12-16-33(17-13-31)26(35)23-8-5-20(18-28-23)25(34)32-14-10-30(11-15-32)21-6-7-21/h3-5,8-9,18-19,21,29H,6-7,10-17H2,1-2H3.

What are the key properties of (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone?

(4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone has a molecular weight of 477.61 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclopropylpiperazin-1-yl)-[6-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazine-1-carbonyl]-3-pyridinyl]methanone is sourced from PubChem (CID 142640730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).