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

C23H21Cl2N5O — CID 11270969

IUPAC[1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CCCC1
InChIInChI=1S/C23H21Cl2N5O/c24-16-9-7-15(8-10-16)21-19-20(29-30(21)18-6-2-1-5-17(18)25)22(27-14-26-19)28-23(13-31)11-3-4-12-23/h1-2,5-10,14,31H,3-4,11-13H2,(H,26,27,28)
InChIKeyFLUWXIGPMGITKU-UHFFFAOYSA-N
MW454.36 g/mol
LogP5.51
Rot. Bonds5

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

[1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol (PubChem CID 11270969) has the molecular formula C23H21Cl2N5O and a molecular weight of 454.36 g/mol. Its IUPAC name is [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol.

Molecular Properties

Compound Name[1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
PubChem CID11270969
Molecular FormulaC23H21Cl2N5O
Molecular Weight454.36 g/mol
Exact Mass453.11
IUPAC Name[1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol
SMILESOCC1(Nc2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CCCC1
InChIInChI=1S/C23H21Cl2N5O/c24-16-9-7-15(8-10-16)21-19-20(29-30(21)18-6-2-1-5-17(18)25)22(27-14-26-19)28-23(13-31)11-3-4-12-23/h1-2,5-10,14,31H,3-4,11-13H2,(H,26,27,28)
InChIKeyFLUWXIGPMGITKU-UHFFFAOYSA-N
XLogP5.51
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.36
LogP ≤ 55.51
H-Bond Donors ≤ 52
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]amino]cyclopentyl]methanol?
The IUPAC name of [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol (CID 11270969) is [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol.
What is the SMILES notation for [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
The canonical SMILES for [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol is OCC1(Nc2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CCCC1.
What is the InChIKey of [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
The InChIKey is FLUWXIGPMGITKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5O/c24-16-9-7-15(8-10-16)21-19-20(29-30(21)18-6-2-1-5-17(18)25)22(27-14-26-19)28-23(13-31)11-3-4-12-23/h1-2,5-10,14,31H,3-4,11-13H2,(H,26,27,28).
What are the key properties of [1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol?
[1-[[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]amino]cyclopentyl]methanol has a molecular weight of 454.36 g/mol, XLogP of 5.51, 5 rotatable bonds, 2 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]amino]cyclopentyl]methanol is sourced from PubChem (CID 11270969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).