5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one

C19H26N6O2 — CID 126469374

IUPAC5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(-c3ccc(OCCCN(C)C)nc3)cnc21
InChIInChI=1S/C19H26N6O2/c1-13(2)12-25-18-17(23-19(25)26)22-15(11-21-18)14-6-7-16(20-10-14)27-9-5-8-24(3)4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,22,23,26)
InChIKeyOAVNPNRFZKPOIF-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.17
Rot. Bonds8

About 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one

5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 126469374) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
PubChem CID126469374
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one
SMILESCC(C)Cn1c(=O)[nH]c2nc(-c3ccc(OCCCN(C)C)nc3)cnc21
InChIInChI=1S/C19H26N6O2/c1-13(2)12-25-18-17(23-19(25)26)22-15(11-21-18)14-6-7-16(20-10-14)27-9-5-8-24(3)4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,22,23,26)
InChIKeyOAVNPNRFZKPOIF-UHFFFAOYSA-N
XLogP2.17
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one (CID 126469374) is 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one is CC(C)Cn1c(=O)[nH]c2nc(-c3ccc(OCCCN(C)C)nc3)cnc21.
What is the InChIKey of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is OAVNPNRFZKPOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(2)12-25-18-17(23-19(25)26)22-15(11-21-18)14-6-7-16(20-10-14)27-9-5-8-24(3)4/h6-7,10-11,13H,5,8-9,12H2,1-4H3,(H,22,23,26).
What are the key properties of 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one?
5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 370.46 g/mol, XLogP of 2.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-1-(2-methylpropyl)-3H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 126469374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).