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

C26H28FN7O2 — CID 42099753

IUPAC2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCOc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H28FN7O2/c1-36-22-8-6-21(7-9-22)32-12-14-33(15-13-32)25-23-17-31-34(26(23)30-18-29-25)11-10-28-24(35)16-19-2-4-20(27)5-3-19/h2-9,17-18H,10-16H2,1H3,(H,28,35)
InChIKeyOVFJEFFLTVUQMR-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.66
Rot. Bonds8

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

2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (PubChem CID 42099753) has the molecular formula C26H28FN7O2 and a molecular weight of 489.56 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
PubChem CID42099753
Molecular FormulaC26H28FN7O2
Molecular Weight489.56 g/mol
Exact Mass489.23
IUPAC Name2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESCOc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C26H28FN7O2/c1-36-22-8-6-21(7-9-22)32-12-14-33(15-13-32)25-23-17-31-34(26(23)30-18-29-25)11-10-28-24(35)16-19-2-4-20(27)5-3-19/h2-9,17-18H,10-16H2,1H3,(H,28,35)
InChIKeyOVFJEFFLTVUQMR-UHFFFAOYSA-N
XLogP2.66
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (CID 42099753) is 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is COc1ccc(N2CCN(c3ncnc4c3cnn4CCNC(=O)Cc3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The InChIKey is OVFJEFFLTVUQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN7O2/c1-36-22-8-6-21(7-9-22)32-12-14-33(15-13-32)25-23-17-31-34(26(23)30-18-29-25)11-10-28-24(35)16-19-2-4-20(27)5-3-19/h2-9,17-18H,10-16H2,1H3,(H,28,35).
What are the key properties of 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide has a molecular weight of 489.56 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42099753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).