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

C18H16FIN4OS — CID 137488678

IUPAC7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(I)c(F)cc4C3)sc2n1
InChIInChI=1S/C18H16FIN4OS/c1-8-7-22-15-14(21)16(26-18(15)23-8)17(25)24-11-3-2-9-6-13(20)12(19)5-10(9)4-11/h5-7,11H,2-4,21H2,1H3,(H,24,25)/t11-/m0/s1
InChIKeyQQTZUGMXWMIYAI-NSHDSACASA-N
MW482.32 g/mol
LogP3.61
Rot. Bonds2

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

7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 137488678) has the molecular formula C18H16FIN4OS and a molecular weight of 482.32 g/mol. Its IUPAC name is 7-amino-N-[(2S)-7-fluoro-6-iodo-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-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID137488678
Molecular FormulaC18H16FIN4OS
Molecular Weight482.32 g/mol
Exact Mass482.01
IUPAC Name7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(I)c(F)cc4C3)sc2n1
InChIInChI=1S/C18H16FIN4OS/c1-8-7-22-15-14(21)16(26-18(15)23-8)17(25)24-11-3-2-9-6-13(20)12(19)5-10(9)4-11/h5-7,11H,2-4,21H2,1H3,(H,24,25)/t11-/m0/s1
InChIKeyQQTZUGMXWMIYAI-NSHDSACASA-N
XLogP3.61
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.32
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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

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Related Compounds

7-amino-N-[(2R)-7-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167655629
7-amino-N-[(2S)-7-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 147748801
7-amino-3-methyl-N-[(2R)-7-methyl-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 167554110
7-amino-3-methyl-N-[(2S)-7-methyl-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489594
7-amino-N-[(2S)-8-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137488629
7-amino-3-methyl-N-[(2S)-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489690
7-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167598709
7-amino-3-methyl-N-[(2S)-6-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489689
7-amino-N-[(2R)-5-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167655631
7-amino-N-[2-(9-amino-1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 172540162
7-amino-3-methyl-N-[6-(9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl)-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 142528435
7-amino-N-[(2R)-6-[(6R)-6-hydroxy-1,4-diazepan-1-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137489623

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-7-fluoro-6-iodo-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-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 137488678) is 7-amino-N-[(2S)-7-fluoro-6-iodo-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-iodo-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-iodo-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(I)c(F)cc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is QQTZUGMXWMIYAI-NSHDSACASA-N. The full InChI is InChI=1S/C18H16FIN4OS/c1-8-7-22-15-14(21)16(26-18(15)23-8)17(25)24-11-3-2-9-6-13(20)12(19)5-10(9)4-11/h5-7,11H,2-4,21H2,1H3,(H,24,25)/t11-/m0/s1.
What are the key properties of 7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2S)-7-fluoro-6-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 482.32 g/mol, XLogP of 3.61, 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-iodo-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 137488678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).