ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

C22H32N6O2 — CID 170591549

About ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol

ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (PubChem CID 170591549) has the molecular formula C22H32N6O2 and a molecular weight of 412.54 g/mol. Its IUPAC name is ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• PubChem CID: 170591549
• Molecular Formula: C22H32N6O2
• Molecular Weight: 412.54 g/mol
• Exact Mass: 412.26
• IUPAC Name: ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
• SMILES: CC.COc1cc2ncc(-c3ccnc(NC4CCCNC4)n3)n2cc1C(C)(C)O
• InChI: InChI=1S/C20H26N6O2.C2H6/c1-20(2,27)14-12-26-16(11-23-18(26)9-17(14)28-3)15-6-8-22-19(25-15)24-13-5-4-7-21-10-13;1-2/h6,8-9,11-13,21,27H,4-5,7,10H2,1-3H3,(H,22,24,25);1-2H3
• InChIKey: SBVLAKSMAQVCPX-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 96.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.54
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The IUPAC name of ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol (CID 170591549) is ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol.

What is the SMILES notation for ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The canonical SMILES for ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is CC.COc1cc2ncc(-c3ccnc(NC4CCCNC4)n3)n2cc1C(C)(C)O.

What is the InChIKey of ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

The InChIKey is SBVLAKSMAQVCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2.C2H6/c1-20(2,27)14-12-26-16(11-23-18(26)9-17(14)28-3)15-6-8-22-19(25-15)24-13-5-4-7-21-10-13;1-2/h6,8-9,11-13,21,27H,4-5,7,10H2,1-3H3,(H,22,24,25);1-2H3.

What are the key properties of ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol?

ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol has a molecular weight of 412.54 g/mol, XLogP of 3.22, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[7-methoxy-3-[2-(piperidin-3-ylamino)pyrimidin-4-yl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol is sourced from PubChem (CID 170591549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).