7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C26H28N6OS — CID 167552543

IUPAC7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@@H]3CCc4c(ccc(N5CC6CCC(C6)C5)c4C#N)C3)sc2n1
InChIInChI=1S/C26H28N6OS/c1-14-11-29-23-22(28)24(34-26(23)30-14)25(33)31-18-5-6-19-17(9-18)4-7-21(20(19)10-27)32-12-15-2-3-16(8-15)13-32/h4,7,11,15-16,18H,2-3,5-6,8-9,12-13,28H2,1H3,(H,31,33)/t15?,16?,18-/m1/s1
InChIKeyGZEUZXPWKJAAKX-LEOMRAHMSA-N
MW472.62 g/mol
LogP3.98
Rot. Bonds3

About 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 167552543) has the molecular formula C26H28N6OS and a molecular weight of 472.62 g/mol. Its IUPAC name is 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID167552543
Molecular FormulaC26H28N6OS
Molecular Weight472.62 g/mol
Exact Mass472.20
IUPAC Name7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@@H]3CCc4c(ccc(N5CC6CCC(C6)C5)c4C#N)C3)sc2n1
InChIInChI=1S/C26H28N6OS/c1-14-11-29-23-22(28)24(34-26(23)30-14)25(33)31-18-5-6-19-17(9-18)4-7-21(20(19)10-27)32-12-15-2-3-16(8-15)13-32/h4,7,11,15-16,18H,2-3,5-6,8-9,12-13,28H2,1H3,(H,31,33)/t15?,16?,18-/m1/s1
InChIKeyGZEUZXPWKJAAKX-LEOMRAHMSA-N
XLogP3.98
TPSA107.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.62
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-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-[(6S)-2-(3-azabicyclo[3.1.1]heptan-3-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167553028
3-[(6R)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-1-cyano-5,6,7,8-tetrahydronaphthalen-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 146349389
3-[(6S)-6-[(3-amino-6-methylthieno[2,3-b]pyridine-2-carbonyl)amino]-1-cyano-5,6,7,8-tetrahydronaphthalen-2-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylic acid
CID 137481211
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-[(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-N-[2-[(3R)-3-aminopyrrolidin-1-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 142528405
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)-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
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)-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]thieno[2,3-b]pyrazine-6-carboxamide
CID 137489690
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-[(2R)-7-fluoro-6-piperidin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 167655629

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 167552543) is 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@@H]3CCc4c(ccc(N5CC6CCC(C6)C5)c4C#N)C3)sc2n1.
What is the InChIKey of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is GZEUZXPWKJAAKX-LEOMRAHMSA-N. The full InChI is InChI=1S/C26H28N6OS/c1-14-11-29-23-22(28)24(34-26(23)30-14)25(33)31-18-5-6-19-17(9-18)4-7-21(20(19)10-27)32-12-15-2-3-16(8-15)13-32/h4,7,11,15-16,18H,2-3,5-6,8-9,12-13,28H2,1H3,(H,31,33)/t15?,16?,18-/m1/s1.
What are the key properties of 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 472.62 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2R)-6-(3-azabicyclo[3.2.1]octan-3-yl)-5-cyano-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 167552543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).