5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine

C25H30FN7O2 — CID 167500269

IUPAC5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cc(F)c2nc(C)cn2c1.COc1cc2c(N3CC(C)NC(C)C3)ccc(C=O)c2nn1
InChIInChI=1S/C16H20N4O2.C9H10FN3/c1-10-7-20(8-11(2)17-10)14-5-4-12(9-21)16-13(14)6-15(22-3)18-19-16;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h4-6,9-11,17H,7-8H2,1-3H3;3-5,11H,1-2H3
InChIKeyVRURJNVVJFBAJY-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.46
Rot. Bonds4

About 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine

5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine (PubChem CID 167500269) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine.

Molecular Properties

Compound Name5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine
PubChem CID167500269
Molecular FormulaC25H30FN7O2
Molecular Weight479.56 g/mol
Exact Mass479.24
IUPAC Name5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine
SMILESCNc1cc(F)c2nc(C)cn2c1.COc1cc2c(N3CC(C)NC(C)C3)ccc(C=O)c2nn1
InChIInChI=1S/C16H20N4O2.C9H10FN3/c1-10-7-20(8-11(2)17-10)14-5-4-12(9-21)16-13(14)6-15(22-3)18-19-16;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h4-6,9-11,17H,7-8H2,1-3H3;3-5,11H,1-2H3
InChIKeyVRURJNVVJFBAJY-UHFFFAOYSA-N
XLogP3.46
TPSA96.68 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine?
The IUPAC name of 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine (CID 167500269) is 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine.
What is the SMILES notation for 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine?
The canonical SMILES for 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine is CNc1cc(F)c2nc(C)cn2c1.COc1cc2c(N3CC(C)NC(C)C3)ccc(C=O)c2nn1.
What is the InChIKey of 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine?
The InChIKey is VRURJNVVJFBAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2.C9H10FN3/c1-10-7-20(8-11(2)17-10)14-5-4-12(9-21)16-13(14)6-15(22-3)18-19-16;1-6-4-13-5-7(11-2)3-8(10)9(13)12-6/h4-6,9-11,17H,7-8H2,1-3H3;3-5,11H,1-2H3.
What are the key properties of 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine?
5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine has a molecular weight of 479.56 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylpiperazin-1-yl)-3-methoxycinnoline-8-carbaldehyde;8-fluoro-N,2-dimethylimidazo[1,2-a]pyridin-6-amine is sourced from PubChem (CID 167500269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).