N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide

C23H24FN7OS — CID 42099805

IUPACN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C23H24FN7OS/c24-17-3-5-18(6-4-17)29-9-11-30(12-10-29)22-20-15-28-31(23(20)27-16-26-22)8-7-25-21(32)14-19-2-1-13-33-19/h1-6,13,15-16H,7-12,14H2,(H,25,32)
InChIKeyAGQWCVQTOUGNCC-UHFFFAOYSA-N
MW465.56 g/mol
LogP2.71
Rot. Bonds7

About N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide

N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide (PubChem CID 42099805) has the molecular formula C23H24FN7OS and a molecular weight of 465.56 g/mol. Its IUPAC name is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
PubChem CID42099805
Molecular FormulaC23H24FN7OS
Molecular Weight465.56 g/mol
Exact Mass465.17
IUPAC NameN-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide
SMILESO=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21
InChIInChI=1S/C23H24FN7OS/c24-17-3-5-18(6-4-17)29-9-11-30(12-10-29)22-20-15-28-31(23(20)27-16-26-22)8-7-25-21(32)14-19-2-1-13-33-19/h1-6,13,15-16H,7-12,14H2,(H,25,32)
InChIKeyAGQWCVQTOUGNCC-UHFFFAOYSA-N
XLogP2.71
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide (CID 42099805) is N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide is O=C(Cc1cccs1)NCCn1ncc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc21.
What is the InChIKey of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
The InChIKey is AGQWCVQTOUGNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7OS/c24-17-3-5-18(6-4-17)29-9-11-30(12-10-29)22-20-15-28-31(23(20)27-16-26-22)8-7-25-21(32)14-19-2-1-13-33-19/h1-6,13,15-16H,7-12,14H2,(H,25,32).
What are the key properties of N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide?
N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide has a molecular weight of 465.56 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(4-fluorophenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 42099805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).