N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine

C22H26N6O4S — CID 78012349

IUPACN-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S(=O)(c1ccc(-c2cc3nccnc3c(NCC3CNCCO3)n2)cc1)N1CCOCC1
InChIInChI=1S/C22H26N6O4S/c29-33(30,28-8-11-31-12-9-28)18-3-1-16(2-4-18)19-13-20-21(25-6-5-24-20)22(27-19)26-15-17-14-23-7-10-32-17/h1-6,13,17,23H,7-12,14-15H2,(H,26,27)
InChIKeyHULHCMCQHZLTTB-UHFFFAOYSA-N
MW470.56 g/mol
LogP1.11
Rot. Bonds6

About N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine

N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine (PubChem CID 78012349) has the molecular formula C22H26N6O4S and a molecular weight of 470.56 g/mol. Its IUPAC name is N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
PubChem CID78012349
Molecular FormulaC22H26N6O4S
Molecular Weight470.56 g/mol
Exact Mass470.17
IUPAC NameN-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
SMILESO=S(=O)(c1ccc(-c2cc3nccnc3c(NCC3CNCCO3)n2)cc1)N1CCOCC1
InChIInChI=1S/C22H26N6O4S/c29-33(30,28-8-11-31-12-9-28)18-3-1-16(2-4-18)19-13-20-21(25-6-5-24-20)22(27-19)26-15-17-14-23-7-10-32-17/h1-6,13,17,23H,7-12,14-15H2,(H,26,27)
InChIKeyHULHCMCQHZLTTB-UHFFFAOYSA-N
XLogP1.11
TPSA118.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.56
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-(morpholin-2-ylmethyl)-7-(4-piperazin-1-ylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 163569241
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
2-morpholin-4-yl-5-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]benzonitrile
CID 71113373
7-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(morpholin-2-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012243
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
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
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
3-[4-[5-[[(2R)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]propan-1-ol
CID 141437407
N-[[(2S)-morpholin-2-yl]methyl]-7-[1-(oxan-4-yl)pyrazol-4-yl]pyrido[3,4-b]pyrazin-5-amine
CID 71113439
N-[[(2S)-morpholin-2-yl]methyl]-7-[6-(oxan-4-ylmethoxy)-3-pyridinyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113426

Frequently Asked Questions

What is the IUPAC name of N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine (CID 78012349) is N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine is O=S(=O)(c1ccc(-c2cc3nccnc3c(NCC3CNCCO3)n2)cc1)N1CCOCC1.
What is the InChIKey of N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is HULHCMCQHZLTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O4S/c29-33(30,28-8-11-31-12-9-28)18-3-1-16(2-4-18)19-13-20-21(25-6-5-24-20)22(27-19)26-15-17-14-23-7-10-32-17/h1-6,13,17,23H,7-12,14-15H2,(H,26,27).
What are the key properties of N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine?
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 470.56 g/mol, XLogP of 1.11, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 78012349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).