6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

C25H26N6O3 — CID 148686575

IUPAC6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C25H26N6O3/c1-32-22-14-19(4-5-21(22)30-8-11-33-12-9-30)28-23-24-26-6-7-31(24)16-20(29-23)18-13-17-3-2-10-34-25(17)27-15-18/h4-7,13-16H,2-3,8-12H2,1H3,(H,28,29)
InChIKeyNSQABPFXCFOJCS-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.71
Rot. Bonds5

About 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 148686575) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID148686575
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCOCC1
InChIInChI=1S/C25H26N6O3/c1-32-22-14-19(4-5-21(22)30-8-11-33-12-9-30)28-23-24-26-6-7-31(24)16-20(29-23)18-13-17-3-2-10-34-25(17)27-15-18/h4-7,13-16H,2-3,8-12H2,1H3,(H,28,29)
InChIKeyNSQABPFXCFOJCS-UHFFFAOYSA-N
XLogP3.71
TPSA86.04 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 148686575) is 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1cc(Nc2nc(-c3cnc4c(c3)CCCO4)cn3ccnc23)ccc1N1CCOCC1.
What is the InChIKey of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is NSQABPFXCFOJCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O3/c1-32-22-14-19(4-5-21(22)30-8-11-33-12-9-30)28-23-24-26-6-7-31(24)16-20(29-23)18-13-17-3-2-10-34-25(17)27-15-18/h4-7,13-16H,2-3,8-12H2,1H3,(H,28,29).
What are the key properties of 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 458.52 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3-methoxy-4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 148686575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).