1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol

C28H23Cl2N5O — CID 11386767

IUPAC1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C28H23Cl2N5O/c29-21-12-10-19(11-13-21)26-24-25(33-35(26)23-9-5-4-8-22(23)30)27(32-18-31-24)34-16-14-28(36,15-17-34)20-6-2-1-3-7-20/h1-13,18,36H,14-17H2
InChIKeyGTIXSUUVZNWGAY-UHFFFAOYSA-N
MW516.43 g/mol
LogP6.28
Rot. Bonds4

About 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol

1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol (PubChem CID 11386767) has the molecular formula C28H23Cl2N5O and a molecular weight of 516.43 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol
PubChem CID11386767
Molecular FormulaC28H23Cl2N5O
Molecular Weight516.43 g/mol
Exact Mass515.13
IUPAC Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol
SMILESOC1(c2ccccc2)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C28H23Cl2N5O/c29-21-12-10-19(11-13-21)26-24-25(33-35(26)23-9-5-4-8-22(23)30)27(32-18-31-24)34-16-14-28(36,15-17-34)20-6-2-1-3-7-20/h1-13,18,36H,14-17H2
InChIKeyGTIXSUUVZNWGAY-UHFFFAOYSA-N
XLogP6.28
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.43
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol (CID 11386767) is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol is OC1(c2ccccc2)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol?
The InChIKey is GTIXSUUVZNWGAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23Cl2N5O/c29-21-12-10-19(11-13-21)26-24-25(33-35(26)23-9-5-4-8-22(23)30)27(32-18-31-24)34-16-14-28(36,15-17-34)20-6-2-1-3-7-20/h1-13,18,36H,14-17H2.
What are the key properties of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol?
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol has a molecular weight of 516.43 g/mol, XLogP of 6.28, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-4-phenylpiperidin-4-ol is sourced from PubChem (CID 11386767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).