4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol

C28H24N8O — CID 155103046

IUPAC4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20/h1-11,16-19,37H,12-15H2
InChIKeyRTAOPMQUFBGKBD-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.16
Rot. Bonds4

About 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol

4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol (PubChem CID 155103046) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
PubChem CID155103046
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC Name4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol
SMILESOc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1
InChIInChI=1S/C28H24N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20/h1-11,16-19,37H,12-15H2
InChIKeyRTAOPMQUFBGKBD-UHFFFAOYSA-N
XLogP4.16
TPSA87.61 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The IUPAC name of 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol (CID 155103046) is 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The canonical SMILES for 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol is Oc1ccc(N2CCN(c3cc(-n4ncc5ccccc54)n4ncc(-c5cccnc5)c4n3)CC2)cc1.
What is the InChIKey of 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
The InChIKey is RTAOPMQUFBGKBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c37-23-9-7-22(8-10-23)33-12-14-34(15-13-33)26-16-27(35-25-6-2-1-4-21(25)18-30-35)36-28(32-26)24(19-31-36)20-5-3-11-29-17-20/h1-11,16-19,37H,12-15H2.
What are the key properties of 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol?
4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol has a molecular weight of 488.56 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(7-indazol-1-yl-3-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 155103046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).