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

C24H28FN7O2S — CID 172539850

IUPAC7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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(CCOC6)C5)c(F)cc4C3)sc2n1
InChIInChI=1S/C24H28FN7O2S/c1-12-8-28-19-18(27)20(35-23(19)29-12)22(33)30-14-2-3-16-13(6-14)7-15(25)21(31-16)32-9-17(26)24(10-32)4-5-34-11-24/h7-8,14,17H,2-6,9-11,26-27H2,1H3,(H,30,33)
InChIKeyRRNMJPFDYBOMTH-UHFFFAOYSA-N
MW497.60 g/mol
LogP1.96
Rot. Bonds3

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

7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 172539850) has the molecular formula C24H28FN7O2S and a molecular weight of 497.60 g/mol. Its IUPAC name is 7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide
PubChem CID172539850
Molecular FormulaC24H28FN7O2S
Molecular Weight497.60 g/mol
Exact Mass497.20
IUPAC Name7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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(CCOC6)C5)c(F)cc4C3)sc2n1
InChIInChI=1S/C24H28FN7O2S/c1-12-8-28-19-18(27)20(35-23(19)29-12)22(33)30-14-2-3-16-13(6-14)7-15(25)21(31-16)32-9-17(26)24(10-32)4-5-34-11-24/h7-8,14,17H,2-6,9-11,26-27H2,1H3,(H,30,33)
InChIKeyRRNMJPFDYBOMTH-UHFFFAOYSA-N
XLogP1.96
TPSA132.28 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide (CID 172539850) is 7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-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(CCOC6)C5)c(F)cc4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is RRNMJPFDYBOMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7O2S/c1-12-8-28-19-18(27)20(35-23(19)29-12)22(33)30-14-2-3-16-13(6-14)7-15(25)21(31-16)32-9-17(26)24(10-32)4-5-34-11-24/h7-8,14,17H,2-6,9-11,26-27H2,1H3,(H,30,33).
What are the key properties of 7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-[2-(9-amino-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 497.60 g/mol, XLogP of 1.96, 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-2-oxa-7-azaspiro[4.4]nonan-7-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-3-methylthieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 172539850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).