(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

C19H16F3N5O — CID 155948298

IUPAC(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c2cccnc21
InChIInChI=1S/C19H16F3N5O/c1-25-11-12-26(16-7-4-9-23-17(16)25)18(28)14-8-10-27(24-14)15-6-3-2-5-13(15)19(20,21)22/h2-10H,11-12H2,1H3
InChIKeyAZWCVXGVFQTIID-UHFFFAOYSA-N
MW387.37 g/mol
LogP3.38
Rot. Bonds2

About (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone

(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (PubChem CID 155948298) has the molecular formula C19H16F3N5O and a molecular weight of 387.37 g/mol. Its IUPAC name is (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.

Molecular Properties

Compound Name(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
PubChem CID155948298
Molecular FormulaC19H16F3N5O
Molecular Weight387.37 g/mol
Exact Mass387.13
IUPAC Name(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone
SMILESCN1CCN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c2cccnc21
InChIInChI=1S/C19H16F3N5O/c1-25-11-12-26(16-7-4-9-23-17(16)25)18(28)14-8-10-27(24-14)15-6-3-2-5-13(15)19(20,21)22/h2-10H,11-12H2,1H3
InChIKeyAZWCVXGVFQTIID-UHFFFAOYSA-N
XLogP3.38
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The IUPAC name of (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone (CID 155948298) is (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone.
What is the SMILES notation for (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The canonical SMILES for (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is CN1CCN(C(=O)c2ccn(-c3ccccc3C(F)(F)F)n2)c2cccnc21.
What is the InChIKey of (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
The InChIKey is AZWCVXGVFQTIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O/c1-25-11-12-26(16-7-4-9-23-17(16)25)18(28)14-8-10-27(24-14)15-6-3-2-5-13(15)19(20,21)22/h2-10H,11-12H2,1H3.
What are the key properties of (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone?
(4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone has a molecular weight of 387.37 g/mol, XLogP of 3.38, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-[1-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]methanone is sourced from PubChem (CID 155948298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).