7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C23H27N7O2S — CID 151571301

IUPAC7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(COC6)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H27N7O2S/c1-12-7-26-19-18(25)20(33-22(19)27-12)21(31)28-14-3-4-15-13(6-14)2-5-17(29-15)30-8-16(24)23(9-30)10-32-11-23/h2,5,7,14,16H,3-4,6,8-11,24-25H2,1H3,(H,28,31)/t14-,16-/m0/s1
InChIKeyQEMOYKBNOMDEFS-HOCLYGCPSA-N
MW465.58 g/mol
LogP1.43
Rot. Bonds3

About 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 151571301) has the molecular formula C23H27N7O2S and a molecular weight of 465.58 g/mol. Its IUPAC name is 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID151571301
Molecular FormulaC23H27N7O2S
Molecular Weight465.58 g/mol
Exact Mass465.19
IUPAC Name7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(COC6)C5)ccc4C3)sc2n1
InChIInChI=1S/C23H27N7O2S/c1-12-7-26-19-18(25)20(33-22(19)27-12)21(31)28-14-3-4-15-13(6-14)2-5-17(29-15)30-8-16(24)23(9-30)10-32-11-23/h2,5,7,14,16H,3-4,6,8-11,24-25H2,1H3,(H,28,31)/t14-,16-/m0/s1
InChIKeyQEMOYKBNOMDEFS-HOCLYGCPSA-N
XLogP1.43
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.58
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 151571301) is 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)N[C@H]3CCc4nc(N5C[C@H](N)C6(COC6)C5)ccc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is QEMOYKBNOMDEFS-HOCLYGCPSA-N. The full InChI is InChI=1S/C23H27N7O2S/c1-12-7-26-19-18(25)20(33-22(19)27-12)21(31)28-14-3-4-15-13(6-14)2-5-17(29-15)30-8-16(24)23(9-30)10-32-11-23/h2,5,7,14,16H,3-4,6,8-11,24-25H2,1H3,(H,28,31)/t14-,16-/m0/s1.
What are the key properties of 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 465.58 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[(6S)-2-[(5R)-5-amino-2-oxa-7-azaspiro[3.4]octan-7-yl]-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 151571301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).