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

C26H27Cl2N5O — CID 11477479

IUPAC4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol
SMILESCCC(C)C1(O)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C26H27Cl2N5O/c1-3-17(2)26(34)12-14-32(15-13-26)25-23-22(29-16-30-25)24(18-8-10-19(27)11-9-18)33(31-23)21-7-5-4-6-20(21)28/h4-11,16-17,34H,3,12-15H2,1-2H3
InChIKeyONJDYDKJNCRUDC-UHFFFAOYSA-N
MW496.44 g/mol
LogP6.17
Rot. Bonds5

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

4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol (PubChem CID 11477479) has the molecular formula C26H27Cl2N5O and a molecular weight of 496.44 g/mol. Its IUPAC name is 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol
PubChem CID11477479
Molecular FormulaC26H27Cl2N5O
Molecular Weight496.44 g/mol
Exact Mass495.16
IUPAC Name4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol
SMILESCCC(C)C1(O)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1
InChIInChI=1S/C26H27Cl2N5O/c1-3-17(2)26(34)12-14-32(15-13-26)25-23-22(29-16-30-25)24(18-8-10-19(27)11-9-18)33(31-23)21-7-5-4-6-20(21)28/h4-11,16-17,34H,3,12-15H2,1-2H3
InChIKeyONJDYDKJNCRUDC-UHFFFAOYSA-N
XLogP6.17
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.44
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]propan-1-ol
CID 134211221
(1S)-1-(4-chlorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032920
(1R)-1-(4-chlorophenyl)-1-[2-[4-[6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032916
US10280171, Example 60
CID 132166856
US10246462, Example 36
CID 134325204
US10246462, Example 65
CID 134335356
4-(aminomethyl)-1-[3-(3-chlorophenyl)-2H-pyrazolo[3,4-b]pyrazin-6-yl]piperidin-4-ol
CID 134367966
2-(4-Chlorophenyl)-4-(4-(4-fluorophenyl)piperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 45500396
1-[2-(4-Chlorophenyl)pyrazolo[1,5-a]pyrazin-4-yl]-4-(2-fluorophenyl)piperazine
CID 45500398
2-(4-Chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)pyrazolo[1,5-a]pyrazine
CID 50796504
2-(4-Chlorophenyl)-4-[4-(prop-2-en-1-yl)piperazin-1-yl]pyrazolo[1,5-a]pyrazine
CID 53333570
2-(2-Chlorophenyl)-3-(4-chlorophenyl)-7-[4-(2,2,2-trifluoroethylsulfonyl)piperazin-1-yl]pyrazolo[4,3-d]pyrimidine
CID 11330582

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol?
The IUPAC name of 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol (CID 11477479) is 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol.
What is the SMILES notation for 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol?
The canonical SMILES for 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol is CCC(C)C1(O)CCN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)CC1.
What is the InChIKey of 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol?
The InChIKey is ONJDYDKJNCRUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27Cl2N5O/c1-3-17(2)26(34)12-14-32(15-13-26)25-23-22(29-16-30-25)24(18-8-10-19(27)11-9-18)33(31-23)21-7-5-4-6-20(21)28/h4-11,16-17,34H,3,12-15H2,1-2H3.
What are the key properties of 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol?
4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol has a molecular weight of 496.44 g/mol, XLogP of 6.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]piperidin-4-ol is sourced from PubChem (CID 11477479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).