7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C19H19FN4OS — CID 142528303

IUPAC7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(C)c(F)cc4C3)sc2n1
InChIInChI=1S/C19H19FN4OS/c1-9-5-11-3-4-13(6-12(11)7-14(9)20)24-18(25)17-15(21)16-19(26-17)23-10(2)8-22-16/h5,7-8,13H,3-4,6,21H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyLRNGOJIIZLYSAW-ZDUSSCGKSA-N
MW370.45 g/mol
LogP3.32
Rot. Bonds2

About 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 142528303) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID142528303
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(C)c(F)cc4C3)sc2n1
InChIInChI=1S/C19H19FN4OS/c1-9-5-11-3-4-13(6-12(11)7-14(9)20)24-18(25)17-15(21)16-19(26-17)23-10(2)8-22-16/h5,7-8,13H,3-4,6,21H2,1-2H3,(H,24,25)/t13-/m0/s1
InChIKeyLRNGOJIIZLYSAW-ZDUSSCGKSA-N
XLogP3.32
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 142528303) is 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(C)c(F)cc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is LRNGOJIIZLYSAW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-9-5-11-3-4-13(6-12(11)7-14(9)20)24-18(25)17-15(21)16-19(26-17)23-10(2)8-22-16/h5,7-8,13H,3-4,6,21H2,1-2H3,(H,24,25)/t13-/m0/s1.
What are the key properties of 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2S)-7-fluoro-6-methyl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 142528303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).