[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol

C25H24N6O2 — CID 147088426

IUPAC[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C25H24N6O2/c32-16-21-14-30(10-11-33-21)20-6-4-19(5-7-20)28-24-25-26-8-9-31(25)15-23(29-24)18-12-17-2-1-3-22(17)27-13-18/h1,3-9,12-13,15,21,32H,2,10-11,14,16H2,(H,28,29)/t21-/m0/s1
InChIKeyBIHSWCNVJXODND-NRFANRHFSA-N
MW440.51 g/mol
LogP3.30
Rot. Bonds5

About [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol

[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol (PubChem CID 147088426) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
PubChem CID147088426
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC Name[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
SMILESOC[C@@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)CCO1
InChIInChI=1S/C25H24N6O2/c32-16-21-14-30(10-11-33-21)20-6-4-19(5-7-20)28-24-25-26-8-9-31(25)15-23(29-24)18-12-17-2-1-3-22(17)27-13-18/h1,3-9,12-13,15,21,32H,2,10-11,14,16H2,(H,28,29)/t21-/m0/s1
InChIKeyBIHSWCNVJXODND-NRFANRHFSA-N
XLogP3.30
TPSA87.81 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[(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
[(2R)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 59473129
1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-3-methylazetidin-3-ol
CID 147069990
[4-[4-[[6-(6-amino-5-methylpyrazin-2-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol
CID 118161077
(3S)-1-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-3-ol
CID 153240462
2-[4-[4-[(6-bromoimidazo[1,2-a]pyrazin-8-yl)amino]phenyl]morpholin-2-yl]ethanol
CID 90027350
[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
6-(5-ethyl-3-pyridinyl)-N-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 147813694
[(2S)-4-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]morpholin-2-yl]methanol
CID 59473303
6-[8-(4-morpholin-4-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-pyrano[2,3-b]pyridin-3-one
CID 153207771
(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

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The IUPAC name of [(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) is [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol.
What is the SMILES notation for [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The canonical SMILES for [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol is OC[C@@H]1CN(c2ccc(Nc3nc(-c4cnc5c(c4)CC=C5)cn4ccnc34)cc2)CCO1.
What is the InChIKey of [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
The InChIKey is BIHSWCNVJXODND-NRFANRHFSA-N. The full InChI is InChI=1S/C25H24N6O2/c32-16-21-14-30(10-11-33-21)20-6-4-19(5-7-20)28-24-25-26-8-9-31(25)15-23(29-24)18-12-17-2-1-3-22(17)27-13-18/h1,3-9,12-13,15,21,32H,2,10-11,14,16H2,(H,28,29)/t21-/m0/s1.
What are the key properties of [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol?
[(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol has a molecular weight of 440.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-[4-[[6-(5H-cyclopenta[b]pyridin-3-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]morpholin-2-yl]methanol is sourced from PubChem (CID 147088426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).