3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

C27H28FN5OS — CID 167549989

IUPAC3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(C#N)c(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/C27H28FN5OS/c1-14-2-6-19-24(30)25(35-27(19)31-14)26(34)32-17-5-7-18-20(9-17)22(28)10-23(21(18)11-29)33-12-15-3-4-16(8-15)13-33/h2,6,10,15-17H,3-5,7-9,12-13,30H2,1H3,(H,32,34)/t15?,16?,17-/m0/s1
InChIKeyVNEVJXJQFPBRTD-JCYILVPMSA-N
MW489.62 g/mol
LogP4.72
Rot. Bonds3

About 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 167549989) has the molecular formula C27H28FN5OS and a molecular weight of 489.62 g/mol. Its IUPAC name is 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID167549989
Molecular FormulaC27H28FN5OS
Molecular Weight489.62 g/mol
Exact Mass489.20
IUPAC Name3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(C#N)c(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1
InChIInChI=1S/C27H28FN5OS/c1-14-2-6-19-24(30)25(35-27(19)31-14)26(34)32-17-5-7-18-20(9-17)22(28)10-23(21(18)11-29)33-12-15-3-4-16(8-15)13-33/h2,6,10,15-17H,3-5,7-9,12-13,30H2,1H3,(H,32,34)/t15?,16?,17-/m0/s1
InChIKeyVNEVJXJQFPBRTD-JCYILVPMSA-N
XLogP4.72
TPSA95.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.62
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

3-amino-N-(3-cyanophenyl)-6-methyl-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508086
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CID 1041214
3-Amino-N-(2-naphthyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridine-2-carboxamide
CID 1230505
(3-Amino-5,8-dimethyl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)-methanone
CID 1135539
(3-amino-6-methylthieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 1156700
(3-Amino-6-isopropyl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone
CID 1442685
(3-Amino-5,7-dimethyl-thieno[2,3-b]quinolin-2-yl)-(3,4-dihydro-1H-isoquinolin-2-yl)-methanone
CID 1442875
4-[4-(acetylamino)phenyl]-3-amino-N-(sec-butyl)-N-(2,4-dimethylphenyl)-6-methylthieno[2,3-b]pyridine-2,5-dicarboxamide
CID 15989812
3-amino-6-benzyl-N-(2-ethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008927
3-amino-6-benzyl-N-(4-methylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 16008939
3-amino-6-benzyl-N-(2,4,6-trimethylphenyl)-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 20866560
3-amino-6-benzyl-N-(2,3-dimethylphenyl)-7,8-dihydro-5H-thieno[2,3-b][1,6]naphthyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide (CID 167549989) is 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is Cc1ccc2c(N)c(C(=O)N[C@H]3CCc4c(C#N)c(N5CC6CCC(C6)C5)cc(F)c4C3)sc2n1.
What is the InChIKey of 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is VNEVJXJQFPBRTD-JCYILVPMSA-N. The full InChI is InChI=1S/C27H28FN5OS/c1-14-2-6-19-24(30)25(35-27(19)31-14)26(34)32-17-5-7-18-20(9-17)22(28)10-23(21(18)11-29)33-12-15-3-4-16(8-15)13-33/h2,6,10,15-17H,3-5,7-9,12-13,30H2,1H3,(H,32,34)/t15?,16?,17-/m0/s1.
What are the key properties of 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 489.62 g/mol, XLogP of 4.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2S)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-8-fluoro-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 167549989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).