6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide

C17H14F4N4O2 — CID 67290784

IUPAC6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C17H14F4N4O2/c1-9(14-6-23-15(7-22-14)27-8-17(19,20)21)24-16(26)13-4-10-2-3-11(18)5-12(10)25-13/h2-7,9,25H,8H2,1H3,(H,24,26)/t9-/m1/s1
InChIKeyREPMUYRLJSIQPZ-SECBINFHSA-N
MW382.32 g/mol
LogP3.53
Rot. Bonds5

About 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide

6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 67290784) has the molecular formula C17H14F4N4O2 and a molecular weight of 382.32 g/mol. Its IUPAC name is 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID67290784
Molecular FormulaC17H14F4N4O2
Molecular Weight382.32 g/mol
Exact Mass382.11
IUPAC Name6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C17H14F4N4O2/c1-9(14-6-23-15(7-22-14)27-8-17(19,20)21)24-16(26)13-4-10-2-3-11(18)5-12(10)25-13/h2-7,9,25H,8H2,1H3,(H,24,26)/t9-/m1/s1
InChIKeyREPMUYRLJSIQPZ-SECBINFHSA-N
XLogP3.53
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.32
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide with MolForge

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Related Compounds

2-fluoro-N-[(2S)-3-(1H-indol-3-yl)-1-oxo-1-(pyridin-4-ylamino)propan-2-yl]-4-morpholin-4-ylbenzamide
CID 72705460
2-(3-Ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71730369
Leucinamide-beta-carboline-3-carboxylate methyl ester
CID 3082576
methyl (2S)-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
CID 8016348
(E)-3-(dimethylamino)-1-[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]prop-2-en-1-one
CID 90656765
5-fluoro-N-(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 4908077
N-(2-hydroxyethyl)-9H-pyrido[3,4-b]indole-3-carboxamide
CID 364145
5-fluoro-N-pyridin-3-yl-1H-indole-2-carboxamide
CID 47155116
N-(2-methoxyethyl)-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
CID 53137362
N-{[2-(2-Methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}-1H-indole-2-carboxamide
CID 91909708
Glycinamide-beta-carboline-3-carboxylate methyl ester
CID 127464
3-(1H-Indol-3-YL)-N-{[2-(2-methoxyethyl)-1-oxo-1H,2H,3H,4H-pyrrolo[1,2-A]pyrazin-3-YL]methyl}propanamide
CID 91909700

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide (CID 67290784) is 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide is C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is REPMUYRLJSIQPZ-SECBINFHSA-N. The full InChI is InChI=1S/C17H14F4N4O2/c1-9(14-6-23-15(7-22-14)27-8-17(19,20)21)24-16(26)13-4-10-2-3-11(18)5-12(10)25-13/h2-7,9,25H,8H2,1H3,(H,24,26)/t9-/m1/s1.
What are the key properties of 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 382.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 67290784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).