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

C23H26FN7O3S — CID 172539806

IUPAC7-amino-N-[2-(9-amino-1,4-dioxa-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)OCCO6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H26FN7O3S/c1-11-8-27-19-18(26)20(35-22(19)28-11)21(32)29-12-2-3-15-13(6-12)14(24)7-17(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,12,16H,2-6,9-10,25-26H2,1H3,(H,29,32)
InChIKeyDREWDBPECDFLHH-UHFFFAOYSA-N
MW499.57 g/mol
LogP1.29
Rot. Bonds3

About 7-amino-N-[2-(9-amino-1,4-dioxa-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-1,4-dioxa-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 172539806) has the molecular formula C23H26FN7O3S and a molecular weight of 499.57 g/mol. Its IUPAC name is 7-amino-N-[2-(9-amino-1,4-dioxa-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-1,4-dioxa-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 CID172539806
Molecular FormulaC23H26FN7O3S
Molecular Weight499.57 g/mol
Exact Mass499.18
IUPAC Name7-amino-N-[2-(9-amino-1,4-dioxa-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)OCCO6)cc(F)c4C3)sc2n1
InChIInChI=1S/C23H26FN7O3S/c1-11-8-27-19-18(26)20(35-22(19)28-11)21(32)29-12-2-3-15-13(6-12)14(24)7-17(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,12,16H,2-6,9-10,25-26H2,1H3,(H,29,32)
InChIKeyDREWDBPECDFLHH-UHFFFAOYSA-N
XLogP1.29
TPSA141.51 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.57
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 7-amino-N-[2-(9-amino-1,4-dioxa-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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[2-(9-amino-1,4-dioxa-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-1,4-dioxa-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 172539806) is 7-amino-N-[2-(9-amino-1,4-dioxa-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-1,4-dioxa-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-1,4-dioxa-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)OCCO6)cc(F)c4C3)sc2n1.
What is the InChIKey of 7-amino-N-[2-(9-amino-1,4-dioxa-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 DREWDBPECDFLHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7O3S/c1-11-8-27-19-18(26)20(35-22(19)28-11)21(32)29-12-2-3-15-13(6-12)14(24)7-17(30-15)31-9-16(25)23(10-31)33-4-5-34-23/h7-8,12,16H,2-6,9-10,25-26H2,1H3,(H,29,32).
What are the key properties of 7-amino-N-[2-(9-amino-1,4-dioxa-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-1,4-dioxa-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 499.57 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[2-(9-amino-1,4-dioxa-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 172539806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).