4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide

C23H23N7O2 — CID 72550310

IUPAC4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESCOc1ccc(C(N)=O)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31)
InChIKeyFDPVPDHJOTXXCZ-UHFFFAOYSA-N
MW429.48 g/mol
LogP2.25
Rot. Bonds5

About 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide

4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide (PubChem CID 72550310) has the molecular formula C23H23N7O2 and a molecular weight of 429.48 g/mol. Its IUPAC name is 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide
PubChem CID72550310
Molecular FormulaC23H23N7O2
Molecular Weight429.48 g/mol
Exact Mass429.19
IUPAC Name4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide
SMILESCOc1ccc(C(N)=O)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31)
InChIKeyFDPVPDHJOTXXCZ-UHFFFAOYSA-N
XLogP2.25
TPSA102.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The IUPAC name of 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide (CID 72550310) is 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide.
What is the SMILES notation for 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The canonical SMILES for 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide is COc1ccc(C(N)=O)cc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
The InChIKey is FDPVPDHJOTXXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O2/c1-32-20-8-7-16(21(24)31)13-19(20)28-9-11-29(12-10-28)22-18-14-27-30(23(18)26-15-25-22)17-5-3-2-4-6-17/h2-8,13-15H,9-12H2,1H3,(H2,24,31).
What are the key properties of 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide?
4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide has a molecular weight of 429.48 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]benzamide is sourced from PubChem (CID 72550310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).