2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile

C23H25N7O2 — CID 71113373

IUPAC2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H25N7O2/c24-13-17-11-16(1-2-21(17)30-6-9-31-10-7-30)19-12-20-22(27-4-3-26-20)23(29-19)28-15-18-14-25-5-8-32-18/h1-4,11-12,18,25H,5-10,14-15H2,(H,28,29)/t18-/m0/s1
InChIKeyRCXLHSLQXPURIJ-SFHVURJKSA-N
MW431.50 g/mol
LogP1.80
Rot. Bonds5

About 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile

2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile (PubChem CID 71113373) has the molecular formula C23H25N7O2 and a molecular weight of 431.50 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile.

Molecular Properties

Compound Name2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
PubChem CID71113373
Molecular FormulaC23H25N7O2
Molecular Weight431.50 g/mol
Exact Mass431.21
IUPAC Name2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
SMILESN#Cc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1
InChIInChI=1S/C23H25N7O2/c24-13-17-11-16(1-2-21(17)30-6-9-31-10-7-30)19-12-20-22(27-4-3-26-20)23(29-19)28-15-18-14-25-5-8-32-18/h1-4,11-12,18,25H,5-10,14-15H2,(H,28,29)/t18-/m0/s1
InChIKeyRCXLHSLQXPURIJ-SFHVURJKSA-N
XLogP1.80
TPSA108.22 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.50
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile with MolForge

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Related Compounds

7-[3-fluoro-4-(1,4-oxazepan-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113777
N-(morpholin-2-ylmethyl)-7-(6-morpholin-4-yl-3-pyridinyl)pyrido[3,4-b]pyrazin-5-amine;hydrochloride
CID 66555381
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(1,4-oxazepan-4-yl)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113797
N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
7-[3-fluoro-4-(2-methylmorpholin-4-yl)phenyl]-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012292
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
7-(3-methyl-4-morpholin-4-ylphenyl)-N-[[(3R)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113342
7-[4-(dimethylamino)phenyl]-N-[[(2R)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113421
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113426
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
7-[4-(1-methylpyrazol-4-yl)phenyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine;sulfane
CID 157239084

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile?
The IUPAC name of 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile (CID 71113373) is 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile.
What is the SMILES notation for 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile?
The canonical SMILES for 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile is N#Cc1cc(-c2cc3nccnc3c(NC[C@@H]3CNCCO3)n2)ccc1N1CCOCC1.
What is the InChIKey of 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile?
The InChIKey is RCXLHSLQXPURIJ-SFHVURJKSA-N. The full InChI is InChI=1S/C23H25N7O2/c24-13-17-11-16(1-2-21(17)30-6-9-31-10-7-30)19-12-20-22(27-4-3-26-20)23(29-19)28-15-18-14-25-5-8-32-18/h1-4,11-12,18,25H,5-10,14-15H2,(H,28,29)/t18-/m0/s1.
What are the key properties of 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile?
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile has a molecular weight of 431.50 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile is sourced from PubChem (CID 71113373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).