[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

C26H23F4N5O2 — CID 166104437

IUPAC[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCn1c(-c2ccc(F)cc2)cc2ncc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)nc21
InChIInChI=1S/C26H23F4N5O2/c1-34-21(17-6-8-18(27)9-7-17)12-19-24(34)33-20(13-32-19)25(36)35-11-3-4-16(14-35)15-37-22-5-2-10-31-23(22)26(28,29)30/h2,5-10,12-13,16H,3-4,11,14-15H2,1H3
InChIKeyHKNMPFQCJBUEDY-UHFFFAOYSA-N
MW513.50 g/mol
LogP5.12
Rot. Bonds5

About [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone

[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (PubChem CID 166104437) has the molecular formula C26H23F4N5O2 and a molecular weight of 513.50 g/mol. Its IUPAC name is [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
PubChem CID166104437
Molecular FormulaC26H23F4N5O2
Molecular Weight513.50 g/mol
Exact Mass513.18
IUPAC Name[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
SMILESCn1c(-c2ccc(F)cc2)cc2ncc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)nc21
InChIInChI=1S/C26H23F4N5O2/c1-34-21(17-6-8-18(27)9-7-17)12-19-24(34)33-20(13-32-19)25(36)35-11-3-4-16(14-35)15-37-22-5-2-10-31-23(22)26(28,29)30/h2,5-10,12-13,16H,3-4,11,14-15H2,1H3
InChIKeyHKNMPFQCJBUEDY-UHFFFAOYSA-N
XLogP5.12
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-2-yl)-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166104978
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-7-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone
CID 166105286
[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
6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazine-3-carboxylic acid
CID 166105311
[3-[(2-methylphenoxy)methyl]piperidin-1-yl]-(3-methyl-2-phenylimidazo[4,5-b]pyrazin-5-yl)methanone
CID 166104821
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
1-(2,2-difluoroethyl)-6-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]pyrazolo[3,4-d]pyrimidine
CID 166104306
(2,6-dimethoxyphenyl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 110638674
[(3S)-3-[(2-methylphenoxy)methyl]piperidin-1-yl]-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methanone
CID 51586958
1H-indol-6-yl-(3-methylpiperidin-1-yl)methanone;3-methoxy-2-(trifluoromethyl)pyridine
CID 166104926
(1-ethylpyrazol-3-yl)-[3-[(4-fluorophenoxy)methyl]piperidin-1-yl]methanone
CID 70744049

Frequently Asked Questions

What is the IUPAC name of [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The IUPAC name of [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone (CID 166104437) is [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone.
What is the SMILES notation for [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The canonical SMILES for [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is Cn1c(-c2ccc(F)cc2)cc2ncc(C(=O)N3CCCC(COc4cccnc4C(F)(F)F)C3)nc21.
What is the InChIKey of [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
The InChIKey is HKNMPFQCJBUEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O2/c1-34-21(17-6-8-18(27)9-7-17)12-19-24(34)33-20(13-32-19)25(36)35-11-3-4-16(14-35)15-37-22-5-2-10-31-23(22)26(28,29)30/h2,5-10,12-13,16H,3-4,11,14-15H2,1H3.
What are the key properties of [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone?
[6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone has a molecular weight of 513.50 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-fluorophenyl)-5-methylpyrrolo[2,3-b]pyrazin-3-yl]-[3-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 166104437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).