N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine

C25H32N6O5S2 — CID 123481343

IUPACN-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O5S2/c1-37(32,33)30-11-7-19(8-12-30)18-3-5-20(6-4-18)22-15-23-24(27-10-9-26-23)25(29-22)28-16-21-17-31(13-14-36-21)38(2,34)35/h3-6,9-10,15,19,21H,7-8,11-14,16-17H2,1-2H3,(H,28,29)
InChIKeyPYBJVRXNQUALEV-UHFFFAOYSA-N
MW560.70 g/mol
LogP1.90
Rot. Bonds7

About N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine

N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine (PubChem CID 123481343) has the molecular formula C25H32N6O5S2 and a molecular weight of 560.70 g/mol. Its IUPAC name is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
PubChem CID123481343
Molecular FormulaC25H32N6O5S2
Molecular Weight560.70 g/mol
Exact Mass560.19
IUPAC NameN-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine
SMILESCS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1
InChIInChI=1S/C25H32N6O5S2/c1-37(32,33)30-11-7-19(8-12-30)18-3-5-20(6-4-18)22-15-23-24(27-10-9-26-23)25(29-22)28-16-21-17-31(13-14-36-21)38(2,34)35/h3-6,9-10,15,19,21H,7-8,11-14,16-17H2,1-2H3,(H,28,29)
InChIKeyPYBJVRXNQUALEV-UHFFFAOYSA-N
XLogP1.90
TPSA134.69 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.70
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

methanesulfonyl chloride;(2S)-4-methylsulfonyl-2-[[7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine;(2S)-4-methylsulfonyl-2-[[7-(4-piperidin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]oxymethyl]morpholine
CID 158346804
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]ethanone
CID 71113562
1-[4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]propan-1-one
CID 123607371
4-[4-[5-(morpholin-2-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidine-1-carboxamide
CID 123215299
1-[4-[4-[5-[[(2S)-morpholin-2-yl]methylamino]pyrido[3,4-b]pyrazin-7-yl]phenyl]piperidin-1-yl]butan-1-one;sulfane
CID 159574224
N-methyl-4-[5-[[(2S)-4-methylsulfonylmorpholin-2-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]aniline;sulfane
CID 158254015
N-(morpholin-2-ylmethyl)-7-(4-morpholin-4-ylsulfonylphenyl)pyrido[3,4-b]pyrazin-5-amine
CID 78012349
2,2-difluoro-1-[2-[[[7-[4-(methylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 78012356
1-[(2R)-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholin-4-yl]ethanone
CID 71113527
N-methyl-2-[[[7-(4-morpholin-4-ylphenyl)pyrido[3,4-b]pyrazin-5-yl]amino]methyl]morpholine-4-carboxamide
CID 78012348
(2S)-2-[[7-[4-(4-methylpiperazin-1-yl)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]-4-methylsulfonylmorpholine
CID 75203400
7-[6-(4-ethylsulfonylpiperazin-1-yl)-3-pyridinyl]-N-[[(2S)-morpholin-2-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113400

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The IUPAC name of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine (CID 123481343) is N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine.
What is the SMILES notation for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The canonical SMILES for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine is CS(=O)(=O)N1CCC(c2ccc(-c3cc4nccnc4c(NCC4CN(S(C)(=O)=O)CCO4)n3)cc2)CC1.
What is the InChIKey of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
The InChIKey is PYBJVRXNQUALEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5S2/c1-37(32,33)30-11-7-19(8-12-30)18-3-5-20(6-4-18)22-15-23-24(27-10-9-26-23)25(29-22)28-16-21-17-31(13-14-36-21)38(2,34)35/h3-6,9-10,15,19,21H,7-8,11-14,16-17H2,1-2H3,(H,28,29).
What are the key properties of N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine?
N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine has a molecular weight of 560.70 g/mol, XLogP of 1.90, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylsulfonylmorpholin-2-yl)methyl]-7-[4-(1-methylsulfonylpiperidin-4-yl)phenyl]pyrido[3,4-b]pyrazin-5-amine is sourced from PubChem (CID 123481343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).