(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

C26H22F3N5O2 — CID 166104442

IUPAC(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCn1c(-c2ccccc2)c(C(=O)N2CC3CC3(COc3cccnc3C(F)(F)F)C2)c2nccnc21
InChIInChI=1S/C26H22F3N5O2/c1-33-21(16-6-3-2-4-7-16)19(20-23(33)32-11-10-30-20)24(35)34-13-17-12-25(17,14-34)15-36-18-8-5-9-31-22(18)26(27,28)29/h2-11,17H,12-15H2,1H3
InChIKeyDSUHMIPSEFVOQS-UHFFFAOYSA-N
MW493.49 g/mol
LogP4.59
Rot. Bonds5

About (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone

(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (PubChem CID 166104442) has the molecular formula C26H22F3N5O2 and a molecular weight of 493.49 g/mol. Its IUPAC name is (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.

Molecular Properties

Compound Name(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
PubChem CID166104442
Molecular FormulaC26H22F3N5O2
Molecular Weight493.49 g/mol
Exact Mass493.17
IUPAC Name(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone
SMILESCn1c(-c2ccccc2)c(C(=O)N2CC3CC3(COc3cccnc3C(F)(F)F)C2)c2nccnc21
InChIInChI=1S/C26H22F3N5O2/c1-33-21(16-6-3-2-4-7-16)19(20-23(33)32-11-10-30-20)24(35)34-13-17-12-25(17,14-34)15-36-18-8-5-9-31-22(18)26(27,28)29/h2-11,17H,12-15H2,1H3
InChIKeyDSUHMIPSEFVOQS-UHFFFAOYSA-N
XLogP4.59
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.49
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The IUPAC name of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone (CID 166104442) is (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone.
What is the SMILES notation for (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The canonical SMILES for (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is Cn1c(-c2ccccc2)c(C(=O)N2CC3CC3(COc3cccnc3C(F)(F)F)C2)c2nccnc21.
What is the InChIKey of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
The InChIKey is DSUHMIPSEFVOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O2/c1-33-21(16-6-3-2-4-7-16)19(20-23(33)32-11-10-30-20)24(35)34-13-17-12-25(17,14-34)15-36-18-8-5-9-31-22(18)26(27,28)29/h2-11,17H,12-15H2,1H3.
What are the key properties of (5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone?
(5-methyl-6-phenylpyrrolo[2,3-b]pyrazin-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone has a molecular weight of 493.49 g/mol, XLogP of 4.59, 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-7-yl)-[1-[[2-(trifluoromethyl)-3-pyridinyl]oxymethyl]-3-azabicyclo[3.1.0]hexan-3-yl]methanone is sourced from PubChem (CID 166104442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).