N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

C23H26FN7OS — CID 172540359

IUPACN-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(N)c(C(=O)NC3CCc4nc(N5CCC6CNCC65)c(F)cc4C3)sc2n1
InChIInChI=1S/C23H26FN7OS/c1-11-27-9-15-19(25)20(33-23(15)28-11)22(32)29-14-2-3-17-13(6-14)7-16(24)21(30-17)31-5-4-12-8-26-10-18(12)31/h7,9,12,14,18,26H,2-6,8,10,25H2,1H3,(H,29,32)
InChIKeyQJVNPTPPIJBXEE-UHFFFAOYSA-N
MW467.57 g/mol
LogP2.20
Rot. Bonds3

About N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide

N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 172540359) has the molecular formula C23H26FN7OS and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID172540359
Molecular FormulaC23H26FN7OS
Molecular Weight467.57 g/mol
Exact Mass467.19
IUPAC NameN-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1ncc2c(N)c(C(=O)NC3CCc4nc(N5CCC6CNCC65)c(F)cc4C3)sc2n1
InChIInChI=1S/C23H26FN7OS/c1-11-27-9-15-19(25)20(33-23(15)28-11)22(32)29-14-2-3-17-13(6-14)7-16(24)21(30-17)31-5-4-12-8-26-10-18(12)31/h7,9,12,14,18,26H,2-6,8,10,25H2,1H3,(H,29,32)
InChIKeyQJVNPTPPIJBXEE-UHFFFAOYSA-N
XLogP2.20
TPSA109.06 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.57
LogP ≤ 52.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-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 N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide (CID 172540359) is N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is Cc1ncc2c(N)c(C(=O)NC3CCc4nc(N5CCC6CNCC65)c(F)cc4C3)sc2n1.
What is the InChIKey of N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is QJVNPTPPIJBXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN7OS/c1-11-27-9-15-19(25)20(33-23(15)28-11)22(32)29-14-2-3-17-13(6-14)7-16(24)21(30-17)31-5-4-12-8-26-10-18(12)31/h7,9,12,14,18,26H,2-6,8,10,25H2,1H3,(H,29,32).
What are the key properties of N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide?
N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 467.57 g/mol, XLogP of 2.20, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl)-3-fluoro-5,6,7,8-tetrahydroquinolin-6-yl]-5-amino-2-methylthieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 172540359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).