2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

C18H14F4N4O2 — CID 163250826

IUPAC2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OCC(F)(F)F)c[nH]c2n1)C1CC1F
InChIInChI=1S/C18H14F4N4O2/c19-13-6-11(13)16(27)26-14-4-3-9-12(7-24-15(9)25-14)10-2-1-5-23-17(10)28-8-18(20,21)22/h1-5,7,11,13H,6,8H2,(H2,24,25,26,27)
InChIKeyLSJMOFKPXZQCAK-UHFFFAOYSA-N
MW394.33 g/mol
LogP3.86
Rot. Bonds5

About 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide

2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (PubChem CID 163250826) has the molecular formula C18H14F4N4O2 and a molecular weight of 394.33 g/mol. Its IUPAC name is 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
PubChem CID163250826
Molecular FormulaC18H14F4N4O2
Molecular Weight394.33 g/mol
Exact Mass394.11
IUPAC Name2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2c(-c3cccnc3OCC(F)(F)F)c[nH]c2n1)C1CC1F
InChIInChI=1S/C18H14F4N4O2/c19-13-6-11(13)16(27)26-14-4-3-9-12(7-24-15(9)25-14)10-2-1-5-23-17(10)28-8-18(20,21)22/h1-5,7,11,13H,6,8H2,(H2,24,25,26,27)
InChIKeyLSJMOFKPXZQCAK-UHFFFAOYSA-N
XLogP3.86
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.33
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The IUPAC name of 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide (CID 163250826) is 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The canonical SMILES for 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is O=C(Nc1ccc2c(-c3cccnc3OCC(F)(F)F)c[nH]c2n1)C1CC1F.
What is the InChIKey of 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
The InChIKey is LSJMOFKPXZQCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F4N4O2/c19-13-6-11(13)16(27)26-14-4-3-9-12(7-24-15(9)25-14)10-2-1-5-23-17(10)28-8-18(20,21)22/h1-5,7,11,13H,6,8H2,(H2,24,25,26,27).
What are the key properties of 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide?
2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide has a molecular weight of 394.33 g/mol, XLogP of 3.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[3-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 163250826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).