6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile

C23H19F3N6 — CID 153127953

IUPAC6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCCCCc1cc(-c2ccc(C#N)cn2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C23H19F3N6/c1-3-4-5-15-8-16(18-7-6-14(10-27)11-28-18)12-29-20(15)22-31-19-9-17(23(24,25)26)13-30-21(19)32(22)2/h6-9,11-13H,3-5H2,1-2H3
InChIKeyVWDREGXIFHNKOP-UHFFFAOYSA-N
MW436.44 g/mol
LogP5.33
Rot. Bonds5

About 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile

6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile (PubChem CID 153127953) has the molecular formula C23H19F3N6 and a molecular weight of 436.44 g/mol. Its IUPAC name is 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile
PubChem CID153127953
Molecular FormulaC23H19F3N6
Molecular Weight436.44 g/mol
Exact Mass436.16
IUPAC Name6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile
SMILESCCCCc1cc(-c2ccc(C#N)cn2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C
InChIInChI=1S/C23H19F3N6/c1-3-4-5-15-8-16(18-7-6-14(10-27)11-28-18)12-29-20(15)22-31-19-9-17(23(24,25)26)13-30-21(19)32(22)2/h6-9,11-13H,3-5H2,1-2H3
InChIKeyVWDREGXIFHNKOP-UHFFFAOYSA-N
XLogP5.33
TPSA80.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The IUPAC name of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile (CID 153127953) is 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile is CCCCc1cc(-c2ccc(C#N)cn2)cnc1-c1nc2cc(C(F)(F)F)cnc2n1C.
What is the InChIKey of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?
The InChIKey is VWDREGXIFHNKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6/c1-3-4-5-15-8-16(18-7-6-14(10-27)11-28-18)12-29-20(15)22-31-19-9-17(23(24,25)26)13-30-21(19)32(22)2/h6-9,11-13H,3-5H2,1-2H3.
What are the key properties of 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile?
6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile has a molecular weight of 436.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-butyl-6-[3-methyl-6-(trifluoromethyl)imidazo[4,5-b]pyridin-2-yl]-3-pyridinyl]pyridine-3-carbonitrile is sourced from PubChem (CID 153127953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).