N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide

C27H31FN8O2S — CID 73388553

IUPACN-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1
InChIInChI=1S/C27H31FN8O2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33/h1-4,15,17-19H,5-14,16H2,(H,29,37)
InChIKeyHJZKPJUJQJAIFI-UHFFFAOYSA-N
MW550.66 g/mol
LogP3.06
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide

N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide (PubChem CID 73388553) has the molecular formula C27H31FN8O2S and a molecular weight of 550.66 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
PubChem CID73388553
Molecular FormulaC27H31FN8O2S
Molecular Weight550.66 g/mol
Exact Mass550.23
IUPAC NameN-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide
SMILESO=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1
InChIInChI=1S/C27H31FN8O2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33/h1-4,15,17-19H,5-14,16H2,(H,29,37)
InChIKeyHJZKPJUJQJAIFI-UHFFFAOYSA-N
XLogP3.06
TPSA91.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.66
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-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-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide (CID 73388553) is N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide is O=C(NCc1ccc(F)cc1)N1CCN(c2ncnc3cc(-c4cnn(CCN5CCOCC5)c4)sc23)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide?
The InChIKey is HJZKPJUJQJAIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31FN8O2S/c28-22-3-1-20(2-4-22)16-29-27(37)35-8-6-34(7-9-35)26-25-23(30-19-31-26)15-24(39-25)21-17-32-36(18-21)10-5-33-11-13-38-14-12-33/h1-4,15,17-19H,5-14,16H2,(H,29,37).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide?
N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide has a molecular weight of 550.66 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-[6-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]thieno[3,2-d]pyrimidin-4-yl]piperazine-1-carboxamide is sourced from PubChem (CID 73388553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).