2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

C25H23N7S — CID 3011483

IUPAC2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(C(c2nccs2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H23N7S/c1-3-7-19(8-4-1)22(25-26-11-16-33-25)30-12-14-31(15-13-30)23-21-17-29-32(24(21)28-18-27-23)20-9-5-2-6-10-20/h1-11,16-18,22H,12-15H2
InChIKeyDXCNVFADSDJNTL-UHFFFAOYSA-N
MW453.58 g/mol
LogP4.18
Rot. Bonds5

About 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole

2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (PubChem CID 3011483) has the molecular formula C25H23N7S and a molecular weight of 453.58 g/mol. Its IUPAC name is 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
PubChem CID3011483
Molecular FormulaC25H23N7S
Molecular Weight453.58 g/mol
Exact Mass453.17
IUPAC Name2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole
SMILESc1ccc(C(c2nccs2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1
InChIInChI=1S/C25H23N7S/c1-3-7-19(8-4-1)22(25-26-11-16-33-25)30-12-14-31(15-13-30)23-21-17-29-32(24(21)28-18-27-23)20-9-5-2-6-10-20/h1-11,16-18,22H,12-15H2
InChIKeyDXCNVFADSDJNTL-UHFFFAOYSA-N
XLogP4.18
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.58
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole (CID 3011483) is 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is c1ccc(C(c2nccs2)N2CCN(c3ncnc4c3cnn4-c3ccccc3)CC2)cc1.
What is the InChIKey of 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
The InChIKey is DXCNVFADSDJNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7S/c1-3-7-19(8-4-1)22(25-26-11-16-33-25)30-12-14-31(15-13-30)23-21-17-29-32(24(21)28-18-27-23)20-9-5-2-6-10-20/h1-11,16-18,22H,12-15H2.
What are the key properties of 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole?
2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole has a molecular weight of 453.58 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[phenyl-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 3011483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).