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

C18H16F4N4O2 — CID 67291525

IUPAC6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccc(F)cc2n1C)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F4N4O2/c1-10(13-7-24-16(8-23-13)28-9-18(20,21)22)25-17(27)15-5-11-3-4-12(19)6-14(11)26(15)2/h3-8,10H,9H2,1-2H3,(H,25,27)/t10-/m1/s1
InChIKeyNVVOMWKMHPWRQC-SNVBAGLBSA-N
MW396.34 g/mol
LogP3.54
Rot. Bonds5

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

6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide (PubChem CID 67291525) has the molecular formula C18H16F4N4O2 and a molecular weight of 396.34 g/mol. Its IUPAC name is 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide
PubChem CID67291525
Molecular FormulaC18H16F4N4O2
Molecular Weight396.34 g/mol
Exact Mass396.12
IUPAC Name6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide
SMILESC[C@@H](NC(=O)c1cc2ccc(F)cc2n1C)c1cnc(OCC(F)(F)F)cn1
InChIInChI=1S/C18H16F4N4O2/c1-10(13-7-24-16(8-23-13)28-9-18(20,21)22)25-17(27)15-5-11-3-4-12(19)6-14(11)26(15)2/h3-8,10H,9H2,1-2H3,(H,25,27)/t10-/m1/s1
InChIKeyNVVOMWKMHPWRQC-SNVBAGLBSA-N
XLogP3.54
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide?
The IUPAC name of 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide (CID 67291525) is 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide.
What is the SMILES notation for 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide?
The canonical SMILES for 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide is C[C@@H](NC(=O)c1cc2ccc(F)cc2n1C)c1cnc(OCC(F)(F)F)cn1.
What is the InChIKey of 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide?
The InChIKey is NVVOMWKMHPWRQC-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H16F4N4O2/c1-10(13-7-24-16(8-23-13)28-9-18(20,21)22)25-17(27)15-5-11-3-4-12(19)6-14(11)26(15)2/h3-8,10H,9H2,1-2H3,(H,25,27)/t10-/m1/s1.
What are the key properties of 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide?
6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide has a molecular weight of 396.34 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-methyl-N-[(1R)-1-[5-(2,2,2-trifluoroethoxy)pyrazin-2-yl]ethyl]indole-2-carboxamide is sourced from PubChem (CID 67291525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).