ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

C21H29FN6O — CID 170646421

About ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol

ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (PubChem CID 170646421) has the molecular formula C21H29FN6O and a molecular weight of 400.50 g/mol. Its IUPAC name is ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

Molecular Properties

• Compound Name: ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• PubChem CID: 170646421
• Molecular Formula: C21H29FN6O
• Molecular Weight: 400.50 g/mol
• Exact Mass: 400.24
• IUPAC Name: ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol
• SMILES: CC.CC(C)(O)c1cn2c(-c3ccc(F)c(NC4CCCNC4)n3)cnc2cn1
• InChI: InChI=1S/C19H23FN6O.C2H6/c1-19(2,27)16-11-26-15(9-23-17(26)10-22-16)14-6-5-13(20)18(25-14)24-12-4-3-7-21-8-12;1-2/h5-6,9-12,21,27H,3-4,7-8H2,1-2H3,(H,24,25);1-2H3
• InChIKey: VKDQRXOLRFZLEB-UHFFFAOYSA-N
• XLogP: 3.35
• TPSA: 87.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.50
LogP ≤ 5	3.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The IUPAC name of ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol (CID 170646421) is ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol.

What is the SMILES notation for ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The canonical SMILES for ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is CC.CC(C)(O)c1cn2c(-c3ccc(F)c(NC4CCCNC4)n3)cnc2cn1.

What is the InChIKey of ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

The InChIKey is VKDQRXOLRFZLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6O.C2H6/c1-19(2,27)16-11-26-15(9-23-17(26)10-22-16)14-6-5-13(20)18(25-14)24-12-4-3-7-21-8-12;1-2/h5-6,9-12,21,27H,3-4,7-8H2,1-2H3,(H,24,25);1-2H3.

What are the key properties of ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol?

ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol has a molecular weight of 400.50 g/mol, XLogP of 3.35, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;2-[3-[5-fluoro-6-(piperidin-3-ylamino)-2-pyridinyl]imidazo[1,2-a]pyrazin-6-yl]propan-2-ol is sourced from PubChem (CID 170646421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).