2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine

C23H21Cl2N5 — CID 11374004

IUPAC2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESClc1ccc(-c2c3ncnc(NC4CCCCC4)c3nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H21Cl2N5/c24-16-12-10-15(11-13-16)22-20-21(29-30(22)19-9-5-4-8-18(19)25)23(27-14-26-20)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,26,27,28)
InChIKeyKOYDPAJSLOJQED-UHFFFAOYSA-N
MW438.36 g/mol
LogP6.53
Rot. Bonds4

About 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine

2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine (PubChem CID 11374004) has the molecular formula C23H21Cl2N5 and a molecular weight of 438.36 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine
PubChem CID11374004
Molecular FormulaC23H21Cl2N5
Molecular Weight438.36 g/mol
Exact Mass437.12
IUPAC Name2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine
SMILESClc1ccc(-c2c3ncnc(NC4CCCCC4)c3nn2-c2ccccc2Cl)cc1
InChIInChI=1S/C23H21Cl2N5/c24-16-12-10-15(11-13-16)22-20-21(29-30(22)19-9-5-4-8-18(19)25)23(27-14-26-20)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,26,27,28)
InChIKeyKOYDPAJSLOJQED-UHFFFAOYSA-N
XLogP6.53
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.36
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine?
The IUPAC name of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine (CID 11374004) is 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine is Clc1ccc(-c2c3ncnc(NC4CCCCC4)c3nn2-c2ccccc2Cl)cc1.
What is the InChIKey of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine?
The InChIKey is KOYDPAJSLOJQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N5/c24-16-12-10-15(11-13-16)22-20-21(29-30(22)19-9-5-4-8-18(19)25)23(27-14-26-20)28-17-6-2-1-3-7-17/h4-5,8-14,17H,1-3,6-7H2,(H,26,27,28).
What are the key properties of 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine?
2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine has a molecular weight of 438.36 g/mol, XLogP of 6.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-3-(4-chlorophenyl)-N-cyclohexylpyrazolo[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 11374004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).