2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

C25H27N7O2 — CID 42099772

IUPAC2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C25H27N7O2/c33-23(18-34-21-9-5-2-6-10-21)26-11-12-32-25-22(17-29-32)24(27-19-28-25)31-15-13-30(14-16-31)20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,26,33)
InChIKeyVDDOXUPGKFECFX-UHFFFAOYSA-N
MW457.54 g/mol
LogP2.35
Rot. Bonds8

About 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide

2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (PubChem CID 42099772) has the molecular formula C25H27N7O2 and a molecular weight of 457.54 g/mol. Its IUPAC name is 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
PubChem CID42099772
Molecular FormulaC25H27N7O2
Molecular Weight457.54 g/mol
Exact Mass457.22
IUPAC Name2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide
SMILESO=C(COc1ccccc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21
InChIInChI=1S/C25H27N7O2/c33-23(18-34-21-9-5-2-6-10-21)26-11-12-32-25-22(17-29-32)24(27-19-28-25)31-15-13-30(14-16-31)20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,26,33)
InChIKeyVDDOXUPGKFECFX-UHFFFAOYSA-N
XLogP2.35
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.54
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The IUPAC name of 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide (CID 42099772) is 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide.
What is the SMILES notation for 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The canonical SMILES for 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is O=C(COc1ccccc1)NCCn1ncc2c(N3CCN(c4ccccc4)CC3)ncnc21.
What is the InChIKey of 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
The InChIKey is VDDOXUPGKFECFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O2/c33-23(18-34-21-9-5-2-6-10-21)26-11-12-32-25-22(17-29-32)24(27-19-28-25)31-15-13-30(14-16-31)20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2,(H,26,33).
What are the key properties of 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide?
2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide has a molecular weight of 457.54 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[2-[4-(4-phenylpiperazin-1-yl)pyrazolo[5,4-d]pyrimidin-1-yl]ethyl]acetamide is sourced from PubChem (CID 42099772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).