[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone

C27H22BrN5O2 — CID 44623844

IUPAC[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Br)cc4)nn23)CC1
InChIInChI=1S/C27H22BrN5O2/c28-22-8-6-20(7-9-22)24-16-25-29-23(19-4-2-1-3-5-19)17-26(33(25)30-24)31-11-13-32(14-12-31)27(34)21-10-15-35-18-21/h1-10,15-18H,11-14H2
InChIKeyDTRSQRHAUIQIPB-UHFFFAOYSA-N
MW528.41 g/mol
LogP5.38
Rot. Bonds4

About [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone

[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone (PubChem CID 44623844) has the molecular formula C27H22BrN5O2 and a molecular weight of 528.41 g/mol. Its IUPAC name is [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone.

Molecular Properties

Compound Name[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
PubChem CID44623844
Molecular FormulaC27H22BrN5O2
Molecular Weight528.41 g/mol
Exact Mass527.10
IUPAC Name[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone
SMILESO=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Br)cc4)nn23)CC1
InChIInChI=1S/C27H22BrN5O2/c28-22-8-6-20(7-9-22)24-16-25-29-23(19-4-2-1-3-5-19)17-26(33(25)30-24)31-11-13-32(14-12-31)27(34)21-10-15-35-18-21/h1-10,15-18H,11-14H2
InChIKeyDTRSQRHAUIQIPB-UHFFFAOYSA-N
XLogP5.38
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.41
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 44640177
CID 44640177
CID 44602406
CID 44602406
CID 44607590
CID 44607590
CID 44607592
CID 44607592
CID 44629742
CID 44629742
CID 44629744
CID 44629744
CID 44630538
CID 44630538
CID 44640183
CID 44640183
CID 44607586
CID 44607586
CID 44607587
CID 44607587
CID 44623839
CID 44623839
CID 44623840
CID 44623840

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The IUPAC name of [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone (CID 44623844) is [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone.
What is the SMILES notation for [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The canonical SMILES for [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone is O=C(c1ccoc1)N1CCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(Br)cc4)nn23)CC1.
What is the InChIKey of [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
The InChIKey is DTRSQRHAUIQIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22BrN5O2/c28-22-8-6-20(7-9-22)24-16-25-29-23(19-4-2-1-3-5-19)17-26(33(25)30-24)31-11-13-32(14-12-31)27(34)21-10-15-35-18-21/h1-10,15-18H,11-14H2.
What are the key properties of [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone?
[4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone has a molecular weight of 528.41 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-bromophenyl)-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-(furan-3-yl)methanone is sourced from PubChem (CID 44623844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).