N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide

C25H21FN6OS — CID 164612594

IUPACN-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)NCc5cccc(F)c5)cc4)c3s2)cn1
InChIInChI=1S/C25H21FN6OS/c1-32-14-18(13-30-32)22-11-21-24(34-22)25(29-15-28-21)31-20-7-5-16(6-8-20)10-23(33)27-12-17-3-2-4-19(26)9-17/h2-9,11,13-15H,10,12H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyZJJQZDHRIUADEO-UHFFFAOYSA-N
MW472.55 g/mol
LogP4.83
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide

N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 164612594) has the molecular formula C25H21FN6OS and a molecular weight of 472.55 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID164612594
Molecular FormulaC25H21FN6OS
Molecular Weight472.55 g/mol
Exact Mass472.15
IUPAC NameN-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)NCc5cccc(F)c5)cc4)c3s2)cn1
InChIInChI=1S/C25H21FN6OS/c1-32-14-18(13-30-32)22-11-21-24(34-22)25(29-15-28-21)31-20-7-5-16(6-8-20)10-23(33)27-12-17-3-2-4-19(26)9-17/h2-9,11,13-15H,10,12H2,1H3,(H,27,33)(H,28,29,31)
InChIKeyZJJQZDHRIUADEO-UHFFFAOYSA-N
XLogP4.83
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide 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-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide (CID 164612594) is N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide is Cn1cc(-c2cc3ncnc(Nc4ccc(CC(=O)NCc5cccc(F)c5)cc4)c3s2)cn1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is ZJJQZDHRIUADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN6OS/c1-32-14-18(13-30-32)22-11-21-24(34-22)25(29-15-28-21)31-20-7-5-16(6-8-20)10-23(33)27-12-17-3-2-4-19(26)9-17/h2-9,11,13-15H,10,12H2,1H3,(H,27,33)(H,28,29,31).
What are the key properties of N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 472.55 g/mol, XLogP of 4.83, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-2-[4-[[6-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 164612594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).