[(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

C25H26N6O3 — CID 157358038

IUPAC[(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
SMILESOC[C@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C25H26N6O3/c32-16-21-14-30(9-11-33-21)20-5-3-19(4-6-20)28-23-24-26-7-8-31(24)15-22(29-23)18-12-17-2-1-10-34-25(17)27-13-18/h3-8,12-13,15,21,32H,1-2,9-11,14,16H2,(H,28,29)/t21-/m1/s1
InChIKeyBIHXFTJJMMGIAZ-OAQYLSRUSA-N
MW458.52 g/mol
LogP3.06
Rot. Bonds5

About [(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

[(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 (PubChem CID 157358038) has the molecular formula C25H26N6O3 and a molecular weight of 458.52 g/mol. Its IUPAC name is [(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.

Molecular Properties

Compound Name[(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
PubChem CID157358038
Molecular FormulaC25H26N6O3
Molecular Weight458.52 g/mol
Exact Mass458.21
IUPAC Name[(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
SMILESOC[C@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C25H26N6O3/c32-16-21-14-30(9-11-33-21)20-5-3-19(4-6-20)28-23-24-26-7-8-31(24)15-22(29-23)18-12-17-2-1-10-34-25(17)27-13-18/h3-8,12-13,15,21,32H,1-2,9-11,14,16H2,(H,28,29)/t21-/m1/s1
InChIKeyBIHXFTJJMMGIAZ-OAQYLSRUSA-N
XLogP3.06
TPSA97.04 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze [(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 with MolForge

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Related Compounds

[4-[4-[[6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 158934113
[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 147088426
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
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
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
[4-[4-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 118161077
(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
7-[8-[4-[2-(hydroxymethyl)morpholin-4-yl]-3-methoxyanilino]imidazo[1,2-a]pyrazin-6-yl]-3,4-dihydro-2H-pyrido[3,2-f][1,4]oxazepin-5-one
CID 72694450
6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
CID 153207771
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
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-[(3R)-3-(fluoromethyl)-4-methylpiperazin-1-yl]-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 161016814
6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine;6-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-6-yl)-N-[4-(4-fluoropiperidin-1-yl)-3-methoxyphenyl]imidazo[1,2-a]pyrazin-8-amine
CID 162098947

Frequently Asked Questions

What is the IUPAC name of [(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?
The IUPAC name of [(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) is [(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.
What is the SMILES notation for [(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?
The canonical SMILES for [(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 is OC[C@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CCCO5)cn4ccnc34)cc2)CCO1.
What is the InChIKey of [(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?
The InChIKey is BIHXFTJJMMGIAZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H26N6O3/c32-16-21-14-30(9-11-33-21)20-5-3-19(4-6-20)28-23-24-26-7-8-31(24)15-22(29-23)18-12-17-2-1-10-34-25(17)27-13-18/h3-8,12-13,15,21,32H,1-2,9-11,14,16H2,(H,28,29)/t21-/m1/s1.
What are the key properties of [(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?
[(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 has a molecular weight of 458.52 g/mol, XLogP of 3.06, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(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 is sourced from PubChem (CID 157358038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).