5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

C20H16F3N5 — CID 58485878

IUPAC5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3cnc(Cc4ccc(C(F)(F)F)nc4)nc3)c2c1
InChIInChI=1S/C20H16F3N5/c1-12-4-16-15(11-28-19(16)27-7-12)5-14-9-25-18(26-10-14)6-13-2-3-17(24-8-13)20(21,22)23/h2-4,7-11H,5-6H2,1H3,(H,27,28)
InChIKeyNQDGFVFIWNJMOE-UHFFFAOYSA-N
MW383.38 g/mol
LogP4.26
Rot. Bonds4

About 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine

5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 58485878) has the molecular formula C20H16F3N5 and a molecular weight of 383.38 g/mol. Its IUPAC name is 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID58485878
Molecular FormulaC20H16F3N5
Molecular Weight383.38 g/mol
Exact Mass383.14
IUPAC Name5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCc1cnc2[nH]cc(Cc3cnc(Cc4ccc(C(F)(F)F)nc4)nc3)c2c1
InChIInChI=1S/C20H16F3N5/c1-12-4-16-15(11-28-19(16)27-7-12)5-14-9-25-18(26-10-14)6-13-2-3-17(24-8-13)20(21,22)23/h2-4,7-11H,5-6H2,1H3,(H,27,28)
InChIKeyNQDGFVFIWNJMOE-UHFFFAOYSA-N
XLogP4.26
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.38
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine 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 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 58485878) is 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is Cc1cnc2[nH]cc(Cc3cnc(Cc4ccc(C(F)(F)F)nc4)nc3)c2c1.
What is the InChIKey of 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NQDGFVFIWNJMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3N5/c1-12-4-16-15(11-28-19(16)27-7-12)5-14-9-25-18(26-10-14)6-13-2-3-17(24-8-13)20(21,22)23/h2-4,7-11H,5-6H2,1H3,(H,27,28).
What are the key properties of 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine?
5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 383.38 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]pyrimidin-5-yl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 58485878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).