3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine

C20H14F2N4O2 — CID 146316032

IUPAC3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(-c3ccnc(C(F)F)c3)nc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14F2N4O2/c1-11-24-15-4-3-14(12-6-7-23-16(8-12)19(21)22)25-20(15)26(11)13-2-5-17-18(9-13)28-10-27-17/h2-9,19H,10H2,1H3
InChIKeyXVTCBGXEWFTQSE-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.46
Rot. Bonds3

About 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine

3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine (PubChem CID 146316032) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine
PubChem CID146316032
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine
SMILESCc1nc2ccc(-c3ccnc(C(F)F)c3)nc2n1-c1ccc2c(c1)OCO2
InChIInChI=1S/C20H14F2N4O2/c1-11-24-15-4-3-14(12-6-7-23-16(8-12)19(21)22)25-20(15)26(11)13-2-5-17-18(9-13)28-10-27-17/h2-9,19H,10H2,1H3
InChIKeyXVTCBGXEWFTQSE-UHFFFAOYSA-N
XLogP4.46
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine (CID 146316032) is 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine is Cc1nc2ccc(-c3ccnc(C(F)F)c3)nc2n1-c1ccc2c(c1)OCO2.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine?
The InChIKey is XVTCBGXEWFTQSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-11-24-15-4-3-14(12-6-7-23-16(8-12)19(21)22)25-20(15)26(11)13-2-5-17-18(9-13)28-10-27-17/h2-9,19H,10H2,1H3.
What are the key properties of 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine?
3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine has a molecular weight of 380.35 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-5-[2-(difluoromethyl)-4-pyridinyl]-2-methylimidazo[4,5-b]pyridine is sourced from PubChem (CID 146316032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).