6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide

C22H23F3N4O3 — CID 24739686

IUPAC6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
SMILESCc1ccc2c(Nc3cccc(OC(F)(F)F)c3)ncc(C(=O)NCC3CCOCC3)n12
InChIInChI=1S/C22H23F3N4O3/c1-14-5-6-18-20(28-16-3-2-4-17(11-16)32-22(23,24)25)26-13-19(29(14)18)21(30)27-12-15-7-9-31-10-8-15/h2-6,11,13,15H,7-10,12H2,1H3,(H,26,28)(H,27,30)
InChIKeyIWGWFFBDDDKRFF-UHFFFAOYSA-N
MW448.45 g/mol
LogP4.44
Rot. Bonds6

About 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide

6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide (PubChem CID 24739686) has the molecular formula C22H23F3N4O3 and a molecular weight of 448.45 g/mol. Its IUPAC name is 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
PubChem CID24739686
Molecular FormulaC22H23F3N4O3
Molecular Weight448.45 g/mol
Exact Mass448.17
IUPAC Name6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide
SMILESCc1ccc2c(Nc3cccc(OC(F)(F)F)c3)ncc(C(=O)NCC3CCOCC3)n12
InChIInChI=1S/C22H23F3N4O3/c1-14-5-6-18-20(28-16-3-2-4-17(11-16)32-22(23,24)25)26-13-19(29(14)18)21(30)27-12-15-7-9-31-10-8-15/h2-6,11,13,15H,7-10,12H2,1H3,(H,26,28)(H,27,30)
InChIKeyIWGWFFBDDDKRFF-UHFFFAOYSA-N
XLogP4.44
TPSA76.89 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.45
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-difluoroanilino)-6-methyl-N-(oxan-4-ylmethyl)pyrrolo[1,2-a]pyrazine-4-carboxamide;hydrochloride
CID 24739857
N-(oxan-4-ylmethyl)-4-propan-2-yl-6-[3-(trifluoromethoxy)anilino]pyridine-3-carboxamide
CID 58731842
4-cyclopropyl-6-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide;ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 143086586
6-(3-methoxyanilino)-N-(oxan-4-ylmethyl)-4-propan-2-ylpyridine-3-carboxamide
CID 44569924
6-[2-bromo-4-(trifluoromethoxy)anilino]-4-cyclopropyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 59843529
2-(3-cyanoanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyrimidine-5-carboxamide
CID 10092677
3-bromo-5-methyl-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 105367581
6-(4-chloro-2-methylanilino)-N-(oxan-4-ylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 44570575
(1,1-dioxo-1,4-thiazinan-4-yl)-[3-[3-(trifluoromethoxy)anilino]-4-azatricyclo[6.2.2.02,7]dodeca-2(7),3,5-trien-6-yl]methanone
CID 56651000
6-anilino-N-(cyclopropylmethyl)-4-(trifluoromethyl)pyridine-3-carboxamide
CID 69355285
5-methoxy-1-methyl-N-(oxan-4-ylmethyl)indole-3-carboxamide
CID 71754032
methyl 7-methyl-4-[3-(trifluoromethoxy)anilino]-1,8-naphthyridine-3-carboxylate
CID 53132058

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide?
The IUPAC name of 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide (CID 24739686) is 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide is Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)ncc(C(=O)NCC3CCOCC3)n12.
What is the InChIKey of 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide?
The InChIKey is IWGWFFBDDDKRFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N4O3/c1-14-5-6-18-20(28-16-3-2-4-17(11-16)32-22(23,24)25)26-13-19(29(14)18)21(30)27-12-15-7-9-31-10-8-15/h2-6,11,13,15H,7-10,12H2,1H3,(H,26,28)(H,27,30).
What are the key properties of 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide?
6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide has a molecular weight of 448.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(oxan-4-ylmethyl)-1-[3-(trifluoromethoxy)anilino]pyrrolo[1,2-a]pyrazine-4-carboxamide is sourced from PubChem (CID 24739686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).