2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine

C26H21N5O2 — CID 90889782

About 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine

2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine (PubChem CID 90889782) has the molecular formula C26H21N5O2 and a molecular weight of 435.49 g/mol. Its IUPAC name is 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine.

Molecular Properties

• Compound Name: 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
• PubChem CID: 90889782
• Molecular Formula: C26H21N5O2
• Molecular Weight: 435.49 g/mol
• Exact Mass: 435.17
• IUPAC Name: 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine
• SMILES: COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3N=O)c2ccccc12
• InChI: InChI=1S/C26H21N5O2/c1-33-23-11-9-21(19-4-2-3-5-20(19)23)25-26(31-13-12-27-15-24(31)29-25)28-17-7-8-18-16(14-17)6-10-22(18)30-32/h2-5,7-9,11-15,22,28H,6,10H2,1H3
• InChIKey: NGQDMUYCZVFRDM-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 80.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	435.49
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?

The IUPAC name of 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine (CID 90889782) is 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine.

What is the SMILES notation for 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?

The canonical SMILES for 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine is COc1ccc(-c2nc3cnccn3c2Nc2ccc3c(c2)CCC3N=O)c2ccccc12.

What is the InChIKey of 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?

The InChIKey is NGQDMUYCZVFRDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O2/c1-33-23-11-9-21(19-4-2-3-5-20(19)23)25-26(31-13-12-27-15-24(31)29-25)28-17-7-8-18-16(14-17)6-10-22(18)30-32/h2-5,7-9,11-15,22,28H,6,10H2,1H3.

What are the key properties of 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine?

2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine has a molecular weight of 435.49 g/mol, XLogP of 6.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-methoxynaphthalen-1-yl)-N-(1-nitroso-2,3-dihydro-1H-inden-5-yl)imidazo[1,2-a]pyrazin-3-amine is sourced from PubChem (CID 90889782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).