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

C24H29N5OS — CID 167554110

IUPAC7-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
SMILESCc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)c(C)cc4C3)sc2n1
InChIInChI=1S/C24H29N5OS/c1-14-10-17-11-18(7-6-16(17)12-19(14)29-8-4-3-5-9-29)28-23(30)22-20(25)21-24(31-22)27-15(2)13-26-21/h10,12-13,18H,3-9,11,25H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyBWEVDSHDCMLAJQ-GOSISDBHSA-N
MW435.60 g/mol
LogP4.17
Rot. Bonds3

About 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

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 (PubChem CID 167554110) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name7-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
PubChem CID167554110
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name7-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
SMILESCc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)c(C)cc4C3)sc2n1
InChIInChI=1S/C24H29N5OS/c1-14-10-17-11-18(7-6-16(17)12-19(14)29-8-4-3-5-9-29)28-23(30)22-20(25)21-24(31-22)27-15(2)13-26-21/h10,12-13,18H,3-9,11,25H2,1-2H3,(H,28,30)/t18-/m1/s1
InChIKeyBWEVDSHDCMLAJQ-GOSISDBHSA-N
XLogP4.17
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

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
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)-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)-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-[(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)-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-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-[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-[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-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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1cnc2c(N)c(C(=O)N[C@@H]3CCc4cc(N5CCCCC5)c(C)cc4C3)sc2n1.
What is the InChIKey of 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?
The InChIKey is BWEVDSHDCMLAJQ-GOSISDBHSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-14-10-17-11-18(7-6-16(17)12-19(14)29-8-4-3-5-9-29)28-23(30)22-20(25)21-24(31-22)27-15(2)13-26-21/h10,12-13,18H,3-9,11,25H2,1-2H3,(H,28,30)/t18-/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 435.60 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167554110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).