(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol

C23H22F3N5O3 — CID 89439054

IUPAC(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc(OC)cc(N(C[C@@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C23H22F3N5O3/c1-30-12-14(10-28-30)21-11-27-19-5-4-15(8-20(19)29-21)31(13-22(32)23(24,25)26)16-6-17(33-2)9-18(7-16)34-3/h4-12,22,32H,13H2,1-3H3/t22-/m1/s1
InChIKeyINWHLZUNIJSPHA-JOCHJYFZSA-N
MW473.46 g/mol
LogP4.11
Rot. Bonds7

About (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol

(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol (PubChem CID 89439054) has the molecular formula C23H22F3N5O3 and a molecular weight of 473.46 g/mol. Its IUPAC name is (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol
PubChem CID89439054
Molecular FormulaC23H22F3N5O3
Molecular Weight473.46 g/mol
Exact Mass473.17
IUPAC Name(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol
SMILESCOc1cc(OC)cc(N(C[C@@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1
InChIInChI=1S/C23H22F3N5O3/c1-30-12-14(10-28-30)21-11-27-19-5-4-15(8-20(19)29-21)31(13-22(32)23(24,25)26)16-6-17(33-2)9-18(7-16)34-3/h4-12,22,32H,13H2,1-3H3/t22-/m1/s1
InChIKeyINWHLZUNIJSPHA-JOCHJYFZSA-N
XLogP4.11
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol (CID 89439054) is (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol is COc1cc(OC)cc(N(C[C@@H](O)C(F)(F)F)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is INWHLZUNIJSPHA-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H22F3N5O3/c1-30-12-14(10-28-30)21-11-27-19-5-4-15(8-20(19)29-21)31(13-22(32)23(24,25)26)16-6-17(33-2)9-18(7-16)34-3/h4-12,22,32H,13H2,1-3H3/t22-/m1/s1.
What are the key properties of (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol?
(2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 473.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 89439054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).