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

C18H16F4N4O2 — CID 91582888

IUPAC6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@H](c1cnc(OCC(F)(F)F)cn1)N(C)C(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H16F4N4O2/c1-10(15-7-24-16(8-23-15)28-9-18(20,21)22)26(2)17(27)14-5-11-3-4-12(19)6-13(11)25-14/h3-8,10,25H,9H2,1-2H3/t10-/m1/s1
InChIKeyPFWKPGVZLXURKN-SNVBAGLBSA-N
MW396.34 g/mol
LogP3.87
Rot. Bonds5

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

6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide (PubChem CID 91582888) has the molecular formula C18H16F4N4O2 and a molecular weight of 396.34 g/mol. Its IUPAC name is 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
PubChem CID91582888
Molecular FormulaC18H16F4N4O2
Molecular Weight396.34 g/mol
Exact Mass396.12
IUPAC Name6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide
SMILESC[C@H](c1cnc(OCC(F)(F)F)cn1)N(C)C(=O)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C18H16F4N4O2/c1-10(15-7-24-16(8-23-15)28-9-18(20,21)22)26(2)17(27)14-5-11-3-4-12(19)6-13(11)25-14/h3-8,10,25H,9H2,1-2H3/t10-/m1/s1
InChIKeyPFWKPGVZLXURKN-SNVBAGLBSA-N
XLogP3.87
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The IUPAC name of 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide (CID 91582888) is 6-fluoro-N-methyl-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-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The canonical SMILES for 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide is C[C@H](c1cnc(OCC(F)(F)F)cn1)N(C)C(=O)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
The InChIKey is PFWKPGVZLXURKN-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16F4N4O2/c1-10(15-7-24-16(8-23-15)28-9-18(20,21)22)26(2)17(27)14-5-11-3-4-12(19)6-13(11)25-14/h3-8,10,25H,9H2,1-2H3/t10-/m1/s1.
What are the key properties of 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide?
6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 91582888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).