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

C25H22F2N4OS — CID 25159459

IUPACN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)c1F
InChIInChI=1S/C25H22F2N4OS/c1-13-7-8-17(26)23-21(13)15(14(2)31-23)9-10-28-25-24-18(29-12-30-25)11-20(33-24)16-5-4-6-19(32-3)22(16)27/h4-8,11-12,31H,9-10H2,1-3H3,(H,28,29,30)
InChIKeyZIZRESITIJPOKI-UHFFFAOYSA-N
MW464.54 g/mol
LogP6.40
Rot. Bonds6

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

N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (PubChem CID 25159459) has the molecular formula C25H22F2N4OS and a molecular weight of 464.54 g/mol. Its IUPAC name is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
PubChem CID25159459
Molecular FormulaC25H22F2N4OS
Molecular Weight464.54 g/mol
Exact Mass464.15
IUPAC NameN-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine
SMILESCOc1cccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)c1F
InChIInChI=1S/C25H22F2N4OS/c1-13-7-8-17(26)23-21(13)15(14(2)31-23)9-10-28-25-24-18(29-12-30-25)11-20(33-24)16-5-4-6-19(32-3)22(16)27/h4-8,11-12,31H,9-10H2,1-3H3,(H,28,29,30)
InChIKeyZIZRESITIJPOKI-UHFFFAOYSA-N
XLogP6.40
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.54
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[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-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine (CID 25159459) is N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[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-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is COc1cccc(-c2cc3ncnc(NCCc4c(C)[nH]c5c(F)ccc(C)c45)c3s2)c1F.
What is the InChIKey of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
The InChIKey is ZIZRESITIJPOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N4OS/c1-13-7-8-17(26)23-21(13)15(14(2)31-23)9-10-28-25-24-18(29-12-30-25)11-20(33-24)16-5-4-6-19(32-3)22(16)27/h4-8,11-12,31H,9-10H2,1-3H3,(H,28,29,30).
What are the key properties of N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine?
N-[2-(7-fluoro-2,4-dimethyl-1H-indol-3-yl)ethyl]-6-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine has a molecular weight of 464.54 g/mol, XLogP of 6.40, 6 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-(2-fluoro-3-methoxyphenyl)thieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 25159459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).