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

C23H24FN7OS — CID 73388637

IUPAC4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1nn(C)cc1-c1cc2ncnc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)c2s1
InChIInChI=1S/C23H24FN7OS/c1-15-18(13-29(2)28-15)20-11-19-21(33-20)22(27-14-26-19)30-7-9-31(10-8-30)23(32)25-12-16-3-5-17(24)6-4-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,32)
InChIKeyLIJRWGTWPYHSBZ-UHFFFAOYSA-N
MW465.56 g/mol
LogP3.57
Rot. Bonds4

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

4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (PubChem CID 73388637) has the molecular formula C23H24FN7OS and a molecular weight of 465.56 g/mol. Its IUPAC name is 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
PubChem CID73388637
Molecular FormulaC23H24FN7OS
Molecular Weight465.56 g/mol
Exact Mass465.17
IUPAC Name4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide
SMILESCc1nn(C)cc1-c1cc2ncnc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)c2s1
InChIInChI=1S/C23H24FN7OS/c1-15-18(13-29(2)28-15)20-11-19-21(33-20)22(27-14-26-19)30-7-9-31(10-8-30)23(32)25-12-16-3-5-17(24)6-4-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,32)
InChIKeyLIJRWGTWPYHSBZ-UHFFFAOYSA-N
XLogP3.57
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The IUPAC name of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide (CID 73388637) is 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The canonical SMILES for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is Cc1nn(C)cc1-c1cc2ncnc(N3CCN(C(=O)NCc4ccc(F)cc4)CC3)c2s1.
What is the InChIKey of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
The InChIKey is LIJRWGTWPYHSBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7OS/c1-15-18(13-29(2)28-15)20-11-19-21(33-20)22(27-14-26-19)30-7-9-31(10-8-30)23(32)25-12-16-3-5-17(24)6-4-16/h3-6,11,13-14H,7-10,12H2,1-2H3,(H,25,32).
What are the key properties of 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide?
4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide has a molecular weight of 465.56 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-dimethylpyrazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]-N-[(4-fluorophenyl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 73388637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).