2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone

C23H25F3N4O2 — CID 138533459

IUPAC2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESCCn1c(C(C)(F)F)nc2c(-c3ccc(CC(=O)N4CCO[C@@H](C)C4)c(F)c3)nccc21
InChIInChI=1S/C23H25F3N4O2/c1-4-30-18-7-8-27-20(21(18)28-22(30)23(3,25)26)16-6-5-15(17(24)11-16)12-19(31)29-9-10-32-14(2)13-29/h5-8,11,14H,4,9-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeySBMYNDANWFKAJB-AWEZNQCLSA-N
MW446.47 g/mol
LogP4.16
Rot. Bonds5

About 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone

2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone (PubChem CID 138533459) has the molecular formula C23H25F3N4O2 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
PubChem CID138533459
Molecular FormulaC23H25F3N4O2
Molecular Weight446.47 g/mol
Exact Mass446.19
IUPAC Name2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
SMILESCCn1c(C(C)(F)F)nc2c(-c3ccc(CC(=O)N4CCO[C@@H](C)C4)c(F)c3)nccc21
InChIInChI=1S/C23H25F3N4O2/c1-4-30-18-7-8-27-20(21(18)28-22(30)23(3,25)26)16-6-5-15(17(24)11-16)12-19(31)29-9-10-32-14(2)13-29/h5-8,11,14H,4,9-10,12-13H2,1-3H3/t14-/m0/s1
InChIKeySBMYNDANWFKAJB-AWEZNQCLSA-N
XLogP4.16
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The IUPAC name of 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone (CID 138533459) is 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone.
What is the SMILES notation for 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The canonical SMILES for 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone is CCn1c(C(C)(F)F)nc2c(-c3ccc(CC(=O)N4CCO[C@@H](C)C4)c(F)c3)nccc21.
What is the InChIKey of 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
The InChIKey is SBMYNDANWFKAJB-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H25F3N4O2/c1-4-30-18-7-8-27-20(21(18)28-22(30)23(3,25)26)16-6-5-15(17(24)11-16)12-19(31)29-9-10-32-14(2)13-29/h5-8,11,14H,4,9-10,12-13H2,1-3H3/t14-/m0/s1.
What are the key properties of 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone?
2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone has a molecular weight of 446.47 g/mol, XLogP of 4.16, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(1,1-difluoroethyl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-fluorophenyl]-1-[(2S)-2-methylmorpholin-4-yl]ethanone is sourced from PubChem (CID 138533459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).