1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide

C23H21Cl2N7O — CID 11352128

IUPAC1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1
InChIInChI=1S/C23H21Cl2N7O/c1-2-29-23(22(26)33)11-31(12-23)21-19-18(27-13-28-21)20(14-7-9-15(24)10-8-14)32(30-19)17-6-4-3-5-16(17)25/h3-10,13,29H,2,11-12H2,1H3,(H2,26,33)
InChIKeyGEADDKVPIUXSDO-UHFFFAOYSA-N
MW482.38 g/mol
LogP3.44
Rot. Bonds6

About 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide

1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide (PubChem CID 11352128) has the molecular formula C23H21Cl2N7O and a molecular weight of 482.38 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
PubChem CID11352128
Molecular FormulaC23H21Cl2N7O
Molecular Weight482.38 g/mol
Exact Mass481.12
IUPAC Name1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide
SMILESCCNC1(C(N)=O)CN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1
InChIInChI=1S/C23H21Cl2N7O/c1-2-29-23(22(26)33)11-31(12-23)21-19-18(27-13-28-21)20(14-7-9-15(24)10-8-14)32(30-19)17-6-4-3-5-16(17)25/h3-10,13,29H,2,11-12H2,1H3,(H2,26,33)
InChIKeyGEADDKVPIUXSDO-UHFFFAOYSA-N
XLogP3.44
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.38
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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]-3-(ethylamino)azetidine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide (CID 11352128) is 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide is CCNC1(C(N)=O)CN(c2ncnc3c(-c4ccc(Cl)cc4)n(-c4ccccc4Cl)nc23)C1.
What is the InChIKey of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
The InChIKey is GEADDKVPIUXSDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O/c1-2-29-23(22(26)33)11-31(12-23)21-19-18(27-13-28-21)20(14-7-9-15(24)10-8-14)32(30-19)17-6-4-3-5-16(17)25/h3-10,13,29H,2,11-12H2,1H3,(H2,26,33).
What are the key properties of 1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide?
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[4,3-d]pyrimidin-7-yl]-3-(ethylamino)azetidine-3-carboxamide has a molecular weight of 482.38 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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]-3-(ethylamino)azetidine-3-carboxamide is sourced from PubChem (CID 11352128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).