2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol

C25H32N6O3 — CID 78012294

IUPAC2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O3/c32-12-14-34-20-5-10-31(11-6-20)19-3-1-18(2-4-19)22-15-23-24(28-8-7-27-23)25(30-22)29-17-21-16-26-9-13-33-21/h1-4,7-8,15,20-21,26,32H,5-6,9-14,16-17H2,(H,29,30)
InChIKeyBLVRVMJUCQWJRS-UHFFFAOYSA-N
MW464.57 g/mol
LogP2.07
Rot. Bonds8

About 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol

2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol (PubChem CID 78012294) has the molecular formula C25H32N6O3 and a molecular weight of 464.57 g/mol. Its IUPAC name is 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
PubChem CID78012294
Molecular FormulaC25H32N6O3
Molecular Weight464.57 g/mol
Exact Mass464.25
IUPAC Name2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol
SMILESOCCOC1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O3/c32-12-14-34-20-5-10-31(11-6-20)19-3-1-18(2-4-19)22-15-23-24(28-8-7-27-23)25(30-22)29-17-21-16-26-9-13-33-21/h1-4,7-8,15,20-21,26,32H,5-6,9-14,16-17H2,(H,29,30)
InChIKeyBLVRVMJUCQWJRS-UHFFFAOYSA-N
XLogP2.07
TPSA104.66 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol with MolForge

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Related Compounds

2-[1-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol;sulfane
CID 159877071
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
2-methoxy-1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]ethanone
CID 78012361
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]propan-1-one
CID 71113790
3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
CID 141437407
furan-2-yl-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperazin-1-yl]methanone
CID 90126636
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
CID 123215299
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012243

Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol (CID 78012294) is 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol is OCCOC1CCN(c2ccc(-c3cc4nccnc4c(NCC4CNCCO4)n3)cc2)CC1.
What is the InChIKey of 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol?
The InChIKey is BLVRVMJUCQWJRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O3/c32-12-14-34-20-5-10-31(11-6-20)19-3-1-18(2-4-19)22-15-23-24(28-8-7-27-23)25(30-22)29-17-21-16-26-9-13-33-21/h1-4,7-8,15,20-21,26,32H,5-6,9-14,16-17H2,(H,29,30).
What are the key properties of 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol?
2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol has a molecular weight of 464.57 g/mol, XLogP of 2.07, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 78012294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).