5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine

C20H19F3N4O — CID 66554494

IUPAC5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-14(4-6-15)16-10-17-18(26-9-8-25-17)19(27-16)28-12-13-2-1-7-24-11-13/h3-6,8-10,13,24H,1-2,7,11-12H2/t13-/m0/s1
InChIKeyUNSQBJVCAGKRQR-ZDUSSCGKSA-N
MW388.39 g/mol
LogP4.09
Rot. Bonds4

About 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine

5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine (PubChem CID 66554494) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine.

Molecular Properties

Compound Name5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine
PubChem CID66554494
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine
SMILESFC(F)(F)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cc1
InChIInChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-14(4-6-15)16-10-17-18(26-9-8-25-17)19(27-16)28-12-13-2-1-7-24-11-13/h3-6,8-10,13,24H,1-2,7,11-12H2/t13-/m0/s1
InChIKeyUNSQBJVCAGKRQR-ZDUSSCGKSA-N
XLogP4.09
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-dimethyl-5-[5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazin-7-yl]pyrimidin-2-amine
CID 66557055
7-(1-methylpyrazol-4-yl)-5-[[(3S)-piperidin-3-yl]methoxy]pyrido[3,4-b]pyrazine;hydrochloride
CID 86706998
(4R)-4-[[7-[4-(trifluoromethyl)phenyl]-1,6-naphthyridin-5-yl]oxymethyl]pyrrolidin-2-one
CID 58072029
7-(4-methoxyphenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113807
2-(piperidin-3-ylmethoxy)-5-(trifluoromethyl)aniline
CID 117095791
(4R)-4-[[7-[4-(dimethylamino)phenyl]pyrido[3,4-b]pyrazin-5-yl]oxymethyl]pyrrolidin-2-one
CID 118633325
7-(3-fluoro-4-methoxyphenyl)-N-[[(3S)-piperidin-3-yl]methyl]pyrido[3,4-b]pyrazin-5-amine
CID 71113886
7-(3-chloro-4-fluorophenyl)-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113679
(3R)-3-[[4-(trifluoromethyl)phenoxy]methyl]pyrrolidine
CID 58737388
N-ethyl-4-[5-(piperidin-3-ylmethylamino)pyrido[3,4-b]pyrazin-7-yl]benzamide
CID 71113684
7-[4-[2-(dimethylamino)ethoxy]phenyl]-N-(piperidin-3-ylmethyl)pyrido[3,4-b]pyrazin-5-amine
CID 71113438
2-methyl-3-(piperidin-3-ylmethoxy)quinoxaline
CID 55067629

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine?
The IUPAC name of 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine (CID 66554494) is 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine.
What is the SMILES notation for 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine?
The canonical SMILES for 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine is FC(F)(F)c1ccc(-c2cc3nccnc3c(OC[C@H]3CCCNC3)n2)cc1.
What is the InChIKey of 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine?
The InChIKey is UNSQBJVCAGKRQR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H19F3N4O/c21-20(22,23)15-5-3-14(4-6-15)16-10-17-18(26-9-8-25-17)19(27-16)28-12-13-2-1-7-24-11-13/h3-6,8-10,13,24H,1-2,7,11-12H2/t13-/m0/s1.
What are the key properties of 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine?
5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine has a molecular weight of 388.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-piperidin-3-yl]methoxy]-7-[4-(trifluoromethyl)phenyl]pyrido[3,4-b]pyrazine is sourced from PubChem (CID 66554494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).