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

C22H19Cl2N5O — CID 11339647

IUPAC2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H19Cl2N5O/c23-14-10-8-13(9-11-14)21-19-20(28-29(21)17-6-2-1-4-15(17)24)22(26-12-25-19)27-16-5-3-7-18(16)30/h1-2,4,6,8-12,16,18,30H,3,5,7H2,(H,25,26,27)
InChIKeySXVOBTXCEZTXHO-UHFFFAOYSA-N
MW440.33 g/mol
LogP5.11
Rot. Bonds4

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

2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol (PubChem CID 11339647) has the molecular formula C22H19Cl2N5O and a molecular weight of 440.33 g/mol. Its IUPAC name is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
PubChem CID11339647
Molecular FormulaC22H19Cl2N5O
Molecular Weight440.33 g/mol
Exact Mass439.10
IUPAC Name2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol
SMILESOC1CCCC1Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12
InChIInChI=1S/C22H19Cl2N5O/c23-14-10-8-13(9-11-14)21-19-20(28-29(21)17-6-2-1-4-15(17)24)22(26-12-25-19)27-16-5-3-7-18(16)30/h1-2,4,6,8-12,16,18,30H,3,5,7H2,(H,25,26,27)
InChIKeySXVOBTXCEZTXHO-UHFFFAOYSA-N
XLogP5.11
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.33
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol?
The IUPAC name of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol (CID 11339647) is 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol is OC1CCCC1Nc1ncnc2c(-c3ccc(Cl)cc3)n(-c3ccccc3Cl)nc12.
What is the InChIKey of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol?
The InChIKey is SXVOBTXCEZTXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O/c23-14-10-8-13(9-11-14)21-19-20(28-29(21)17-6-2-1-4-15(17)24)22(26-12-25-19)27-16-5-3-7-18(16)30/h1-2,4,6,8-12,16,18,30H,3,5,7H2,(H,25,26,27).
What are the key properties of 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol?
2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol has a molecular weight of 440.33 g/mol, XLogP of 5.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 11339647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).