6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one

C24H22N6O3 — CID 153207771

IUPAC6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
SMILESO=C1COc2ncc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1
InChIInChI=1S/C24H22N6O3/c31-20-12-16-11-17(13-26-24(16)33-15-20)21-14-30-6-5-25-23(30)22(28-21)27-18-1-3-19(4-2-18)29-7-9-32-10-8-29/h1-6,11,13-14H,7-10,12,15H2,(H,27,28)
InChIKeyWLEDSTPESJCRPD-UHFFFAOYSA-N
MW442.48 g/mol
LogP2.88
Rot. Bonds4

About 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one

6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one (PubChem CID 153207771) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one.

Molecular Properties

Compound Name6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
PubChem CID153207771
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC Name6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
SMILESO=C1COc2ncc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1
InChIInChI=1S/C24H22N6O3/c31-20-12-16-11-17(13-26-24(16)33-15-20)21-14-30-6-5-25-23(30)22(28-21)27-18-1-3-19(4-2-18)29-7-9-32-10-8-29/h1-6,11,13-14H,7-10,12,15H2,(H,27,28)
InChIKeyWLEDSTPESJCRPD-UHFFFAOYSA-N
XLogP2.88
TPSA93.88 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

6-[8-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
CID 158533061
(3S)-3-hydroxy-3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-inden-2-one
CID 158668845
1-methyl-5-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-3H-indol-2-one
CID 149389474
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 59473240
[(2R)-4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 157358038
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 161223419
6-(3-hydrazinylphenyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 144744402
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
3-methyl-6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-benzimidazol-2-one
CID 59473289
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-7-yl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 153061267
(1S)-1-[4-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]ethanol
CID 90027767

Frequently Asked Questions

What is the IUPAC name of 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one?
The IUPAC name of 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one (CID 153207771) is 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one.
What is the SMILES notation for 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one?
The canonical SMILES for 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one is O=C1COc2ncc(-c3cn4ccnc4c(Nc4ccc(N5CCOCC5)cc4)n3)cc2C1.
What is the InChIKey of 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one?
The InChIKey is WLEDSTPESJCRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c31-20-12-16-11-17(13-26-24(16)33-15-20)21-14-30-6-5-25-23(30)22(28-21)27-18-1-3-19(4-2-18)29-7-9-32-10-8-29/h1-6,11,13-14H,7-10,12,15H2,(H,27,28).
What are the key properties of 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one?
6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one has a molecular weight of 442.48 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one is sourced from PubChem (CID 153207771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).