[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone

C16H21N5O — CID 97390271

About [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone

[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone (PubChem CID 97390271) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
• PubChem CID: 97390271
• Molecular Formula: C16H21N5O
• Molecular Weight: 299.38 g/mol
• Exact Mass: 299.17
• IUPAC Name: [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone
• SMILES: O=C(c1ccc[nH]1)N1CCn2cc(CN3CCCC3)nc2C1
• InChI: InChI=1S/C16H21N5O/c22-16(14-4-3-5-17-14)21-9-8-20-11-13(18-15(20)12-21)10-19-6-1-2-7-19/h3-5,11,17H,1-2,6-10,12H2
• InChIKey: JAOXYWLXVFBEEY-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 57.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	299.38
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?

The IUPAC name of [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone (CID 97390271) is [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone.

What is the SMILES notation for [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?

The canonical SMILES for [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone is O=C(c1ccc[nH]1)N1CCn2cc(CN3CCCC3)nc2C1.

What is the InChIKey of [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?

The InChIKey is JAOXYWLXVFBEEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c22-16(14-4-3-5-17-14)21-9-8-20-11-13(18-15(20)12-21)10-19-6-1-2-7-19/h3-5,11,17H,1-2,6-10,12H2.

What are the key properties of [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone?

[2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone has a molecular weight of 299.38 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-(1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 97390271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).