3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

C20H15F3N4 — CID 135246672

IUPAC3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCc1cnn2c(-c3cccnc3Cc3ccc(C(F)(F)F)nc3)cccc12
InChIInChI=1S/C20H15F3N4/c1-13-11-26-27-17(13)5-2-6-18(27)15-4-3-9-24-16(15)10-14-7-8-19(25-12-14)20(21,22)23/h2-9,11-12H,10H2,1H3
InChIKeyDGLKWRMLAFMWLT-UHFFFAOYSA-N
MW368.36 g/mol
LogP4.71
Rot. Bonds3

About 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine

3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (PubChem CID 135246672) has the molecular formula C20H15F3N4 and a molecular weight of 368.36 g/mol. Its IUPAC name is 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
PubChem CID135246672
Molecular FormulaC20H15F3N4
Molecular Weight368.36 g/mol
Exact Mass368.12
IUPAC Name3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine
SMILESCc1cnn2c(-c3cccnc3Cc3ccc(C(F)(F)F)nc3)cccc12
InChIInChI=1S/C20H15F3N4/c1-13-11-26-27-17(13)5-2-6-18(27)15-4-3-9-24-16(15)10-14-7-8-19(25-12-14)20(21,22)23/h2-9,11-12H,10H2,1H3
InChIKeyDGLKWRMLAFMWLT-UHFFFAOYSA-N
XLogP4.71
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.36
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine (CID 135246672) is 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is Cc1cnn2c(-c3cccnc3Cc3ccc(C(F)(F)F)nc3)cccc12.
What is the InChIKey of 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
The InChIKey is DGLKWRMLAFMWLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4/c1-13-11-26-27-17(13)5-2-6-18(27)15-4-3-9-24-16(15)10-14-7-8-19(25-12-14)20(21,22)23/h2-9,11-12H,10H2,1H3.
What are the key properties of 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine?
3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine has a molecular weight of 368.36 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7-[2-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-3-pyridinyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 135246672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).