(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C26H24F3N5O2 — CID 166104978

IUPAC(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCn1c(-c2ccccc2)cc2nc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)cnc21
InChIInChI=1S/C26H24F3N5O2/c1-33-21(18-8-3-2-4-9-18)13-19-24(33)31-14-20(32-19)25(35)34-12-6-7-17(15-34)16-36-22-10-5-11-30-23(22)26(27,28)29/h2-5,8-11,13-14,17H,6-7,12,15-16H2,1H3
InChIKeyTYTIXXDSIDOLHB-UHFFFAOYSA-N
MW495.51 g/mol
LogP4.98
Rot. Bonds5

About (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 166104978) has the molecular formula C26H24F3N5O2 and a molecular weight of 495.51 g/mol. Its IUPAC name is (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID166104978
Molecular FormulaC26H24F3N5O2
Molecular Weight495.51 g/mol
Exact Mass495.19
IUPAC Name(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCn1c(-c2ccccc2)cc2nc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)cnc21
InChIInChI=1S/C26H24F3N5O2/c1-33-21(18-8-3-2-4-9-18)13-19-24(33)31-14-20(32-19)25(35)34-12-6-7-17(15-34)16-36-22-10-5-11-30-23(22)26(27,28)29/h2-5,8-11,13-14,17H,6-7,12,15-16H2,1H3
InChIKeyTYTIXXDSIDOLHB-UHFFFAOYSA-N
XLogP4.98
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.51
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104437
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-7-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105286
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
CID 166104821
[2-(4-fluorophenyl)-3-methylimidazo[4,5-b]pyrazin-5-yl]-[(1S,5R)-6-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
CID 166104536
tert-butyl 3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 169223787
tert-butyl (3R)-3-[[2-(trifluoromethyl)phenoxy]methyl]piperidine-1-carboxylate
CID 175699659
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
[(3S)-3-(methylaminomethyl)piperidin-1-yl]-quinoxalin-2-ylmethanone
CID 124628255
methyl 6-methyl-2-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]pyrrolidin-1-yl]pyrimidine-4-carboxylate
CID 170364090
1H-indol-6-yl-[(3S,5S)-3-methyl-5-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105198
(3S)-3-[(2-bromo-3-pyridinyl)oxymethyl]piperidine-1-carboxylic acid
CID 143633716
[(3R)-3-aminopiperidin-1-yl]-[3-methyl-2-[1-(2,2,2-trifluoroethyl)pyrrolo[2,3-b]pyridin-2-yl]imidazo[4,5-b]pyridin-6-yl]methanone
CID 129223734

Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 166104978) is (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is Cn1c(-c2ccccc2)cc2nc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)cnc21.
What is the InChIKey of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is TYTIXXDSIDOLHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O2/c1-33-21(18-8-3-2-4-9-18)13-19-24(33)31-14-20(32-19)25(35)34-12-6-7-17(15-34)16-36-22-10-5-11-30-23(22)26(27,28)29/h2-5,8-11,13-14,17H,6-7,12,15-16H2,1H3.
What are the key properties of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 495.51 g/mol, XLogP of 4.98, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166104978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).