[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate

C18H17F3N4O2 — CID 69343630

IUPAC[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate
SMILESO=C(Nc1cnc2nc(-c3ccccc3)[nH]c2c1)OCC(CF)(CF)CF
InChIInChI=1S/C18H17F3N4O2/c19-8-18(9-20,10-21)11-27-17(26)23-13-6-14-16(22-7-13)25-15(24-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,23,26)(H,22,24,25)
InChIKeyPNQZCVFKQPUJMG-UHFFFAOYSA-N
MW378.35 g/mol
LogP4.07
Rot. Bonds7

About [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate

[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate (PubChem CID 69343630) has the molecular formula C18H17F3N4O2 and a molecular weight of 378.35 g/mol. Its IUPAC name is [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate.

Molecular Properties

Compound Name[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate
PubChem CID69343630
Molecular FormulaC18H17F3N4O2
Molecular Weight378.35 g/mol
Exact Mass378.13
IUPAC Name[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate
SMILESO=C(Nc1cnc2nc(-c3ccccc3)[nH]c2c1)OCC(CF)(CF)CF
InChIInChI=1S/C18H17F3N4O2/c19-8-18(9-20,10-21)11-27-17(26)23-13-6-14-16(22-7-13)25-15(24-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,23,26)(H,22,24,25)
InChIKeyPNQZCVFKQPUJMG-UHFFFAOYSA-N
XLogP4.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.35
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate?
The IUPAC name of [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate (CID 69343630) is [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate.
What is the SMILES notation for [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate?
The canonical SMILES for [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate is O=C(Nc1cnc2nc(-c3ccccc3)[nH]c2c1)OCC(CF)(CF)CF.
What is the InChIKey of [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate?
The InChIKey is PNQZCVFKQPUJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2/c19-8-18(9-20,10-21)11-27-17(26)23-13-6-14-16(22-7-13)25-15(24-14)12-4-2-1-3-5-12/h1-7H,8-11H2,(H,23,26)(H,22,24,25).
What are the key properties of [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate?
[3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate has a molecular weight of 378.35 g/mol, XLogP of 4.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-2,2-bis(fluoromethyl)propyl] N-(2-phenyl-1H-imidazo[4,5-b]pyridin-6-yl)carbamate is sourced from PubChem (CID 69343630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).