7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H26N6OS — CID 146364680

IUPAC7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5C[C@@H]6C[C@H]5CN6)ccc4C3)sc2n1
InChIInChI=1S/C23H26N6OS/c1-12-9-26-20-19(24)21(31-23(20)27-12)22(30)28-15-4-2-14-7-17(5-3-13(14)6-15)29-11-16-8-18(29)10-25-16/h3,5,7,9,15-16,18,25H,2,4,6,8,10-11,24H2,1H3,(H,28,30)/t15-,16-,18-/m0/s1
InChIKeyGLUUPUBNYKECQD-BQFCYCMXSA-N
MW434.57 g/mol
LogP2.42
Rot. Bonds3

About 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 146364680) has the molecular formula C23H26N6OS and a molecular weight of 434.57 g/mol. Its IUPAC name is 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID146364680
Molecular FormulaC23H26N6OS
Molecular Weight434.57 g/mol
Exact Mass434.19
IUPAC Name7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4cc(N5C[C@@H]6C[C@H]5CN6)ccc4C3)sc2n1
InChIInChI=1S/C23H26N6OS/c1-12-9-26-20-19(24)21(31-23(20)27-12)22(30)28-15-4-2-14-7-17(5-3-13(14)6-15)29-11-16-8-18(29)10-25-16/h3,5,7,9,15-16,18,25H,2,4,6,8,10-11,24H2,1H3,(H,28,30)/t15-,16-,18-/m0/s1
InChIKeyGLUUPUBNYKECQD-BQFCYCMXSA-N
XLogP2.42
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.57
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-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-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-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-[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
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)-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-[(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
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
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-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-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)-8-fluoro-6-piperazin-1-yl-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
CID 137488629

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 146364680) is 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-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)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-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(N5C[C@@H]6C[C@H]5CN6)ccc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is GLUUPUBNYKECQD-BQFCYCMXSA-N. The full InChI is InChI=1S/C23H26N6OS/c1-12-9-26-20-19(24)21(31-23(20)27-12)22(30)28-15-4-2-14-7-17(5-3-13(14)6-15)29-11-16-8-18(29)10-25-16/h3,5,7,9,15-16,18,25H,2,4,6,8,10-11,24H2,1H3,(H,28,30)/t15-,16-,18-/m0/s1.
What are the key properties of 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 434.57 g/mol, XLogP of 2.42, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(2S)-6-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 146364680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).