7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

C25H30FN7O2S — CID 172539817

IUPAC7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H30FN7O2S/c1-12-5-6-35-25(12)11-33(10-18(25)27)19-8-16(26)15-7-14(3-4-17(15)32-19)31-23(34)22-20(28)21-24(36-22)30-13(2)9-29-21/h8-9,12,14,18H,3-7,10-11,27-28H2,1-2H3,(H,31,34)
InChIKeyVSBRSHBACGGFFY-UHFFFAOYSA-N
MW511.63 g/mol
LogP2.35
Rot. Bonds3

About 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539817) has the molecular formula C25H30FN7O2S and a molecular weight of 511.63 g/mol. Its IUPAC name is 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172539817
Molecular FormulaC25H30FN7O2S
Molecular Weight511.63 g/mol
Exact Mass511.22
IUPAC Name7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
SMILESCc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)cc(F)c4C3)sc2n1
InChIInChI=1S/C25H30FN7O2S/c1-12-5-6-35-25(12)11-33(10-18(25)27)19-8-16(26)15-7-14(3-4-17(15)32-19)31-23(34)22-20(28)21-24(36-22)30-13(2)9-29-21/h8-9,12,14,18H,3-7,10-11,27-28H2,1-2H3,(H,31,34)
InChIKeyVSBRSHBACGGFFY-UHFFFAOYSA-N
XLogP2.35
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.63
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-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-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539817) is 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is Cc1cnc2c(N)c(C(=O)NC3CCc4nc(N5CC(N)C6(C5)OCCC6C)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is VSBRSHBACGGFFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN7O2S/c1-12-5-6-35-25(12)11-33(10-18(25)27)19-8-16(26)15-7-14(3-4-17(15)32-19)31-23(34)22-20(28)21-24(36-22)30-13(2)9-29-21/h8-9,12,14,18H,3-7,10-11,27-28H2,1-2H3,(H,31,34).
What are the key properties of 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 2.35, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(9-amino-4-methyl-1-oxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).