3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

C25H28F2N6OS — CID 146349357

IUPAC3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC6NCC(F)(F)C6C5)ccc4C3)sc2n1
InChIInChI=1S/C25H28F2N6OS/c1-12-7-13(2)30-24-20(12)21(28)22(35-24)23(34)31-15-4-5-17-14(8-15)3-6-19(32-17)33-9-16-18(10-33)29-11-25(16,26)27/h3,6-7,15-16,18,29H,4-5,8-11,28H2,1-2H3,(H,31,34)
InChIKeyAHJFICWDMUVRAN-UHFFFAOYSA-N
MW498.60 g/mol
LogP3.22
Rot. Bonds3

About 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide

3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (PubChem CID 146349357) has the molecular formula C25H28F2N6OS and a molecular weight of 498.60 g/mol. Its IUPAC name is 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
PubChem CID146349357
Molecular FormulaC25H28F2N6OS
Molecular Weight498.60 g/mol
Exact Mass498.20
IUPAC Name3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide
SMILESCc1cc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC6NCC(F)(F)C6C5)ccc4C3)sc2n1
InChIInChI=1S/C25H28F2N6OS/c1-12-7-13(2)30-24-20(12)21(28)22(35-24)23(34)31-15-4-5-17-14(8-15)3-6-19(32-17)33-9-16-18(10-33)29-11-25(16,26)27/h3,6-7,15-16,18,29H,4-5,8-11,28H2,1-2H3,(H,31,34)
InChIKeyAHJFICWDMUVRAN-UHFFFAOYSA-N
XLogP3.22
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.60
LogP ≤ 53.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-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 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide (CID 146349357) is 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is Cc1cc(C)c2c(N)c(C(=O)NC3CCc4nc(N5CC6NCC(F)(F)C6C5)ccc4C3)sc2n1.
What is the InChIKey of 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is AHJFICWDMUVRAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F2N6OS/c1-12-7-13(2)30-24-20(12)21(28)22(35-24)23(34)31-15-4-5-17-14(8-15)3-6-19(32-17)33-9-16-18(10-33)29-11-25(16,26)27/h3,6-7,15-16,18,29H,4-5,8-11,28H2,1-2H3,(H,31,34).
What are the key properties of 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 498.60 g/mol, XLogP of 3.22, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(3,3-difluoro-1,2,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrol-5-yl)-5,6,7,8-tetrahydroquinolin-6-yl]-4,6-dimethylthieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 146349357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).