N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine

C27H22FN5S — CID 25161028

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3ccc4ncccc4c3)sc12
InChIInChI=1S/C27H22FN5S/c1-15-5-7-20(28)25-24(15)19(16(2)33-25)9-11-30-27-26-22(31-14-32-27)13-23(34-26)18-6-8-21-17(12-18)4-3-10-29-21/h3-8,10,12-14,33H,9,11H2,1-2H3,(H,30,31,32)
InChIKeyVEQJLYMJMXZGGL-UHFFFAOYSA-N
MW467.57 g/mol
LogP6.80
Rot. Bonds5

About N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine (PubChem CID 25161028) has the molecular formula C27H22FN5S and a molecular weight of 467.57 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine
PubChem CID25161028
Molecular FormulaC27H22FN5S
Molecular Weight467.57 g/mol
Exact Mass467.16
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine
SMILESCc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3ccc4ncccc4c3)sc12
InChIInChI=1S/C27H22FN5S/c1-15-5-7-20(28)25-24(15)19(16(2)33-25)9-11-30-27-26-22(31-14-32-27)13-23(34-26)18-6-8-21-17(12-18)4-3-10-29-21/h3-8,10,12-14,33H,9,11H2,1-2H3,(H,30,31,32)
InChIKeyVEQJLYMJMXZGGL-UHFFFAOYSA-N
XLogP6.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.57
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine 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-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine (CID 25161028) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine is Cc1[nH]c2c(F)ccc(C)c2c1CCNc1ncnc2cc(-c3ccc4ncccc4c3)sc12.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine?
The InChIKey is VEQJLYMJMXZGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22FN5S/c1-15-5-7-20(28)25-24(15)19(16(2)33-25)9-11-30-27-26-22(31-14-32-27)13-23(34-26)18-6-8-21-17(12-18)4-3-10-29-21/h3-8,10,12-14,33H,9,11H2,1-2H3,(H,30,31,32).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine has a molecular weight of 467.57 g/mol, XLogP of 6.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-quinolin-6-ylthieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25161028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).