2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate

C18H18Cl2N4O2 — CID 24966297

IUPAC2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate
SMILESCCC(=O)OCC(C)Nc1c(-c2ccccc2Cl)c(Cl)nc2ccnn12
InChIInChI=1S/C18H18Cl2N4O2/c1-3-15(25)26-10-11(2)22-18-16(12-6-4-5-7-13(12)19)17(20)23-14-8-9-21-24(14)18/h4-9,11,22H,3,10H2,1-2H3
InChIKeyXGKUIBUEDGPMNR-UHFFFAOYSA-N
MW393.27 g/mol
LogP4.46
Rot. Bonds6

About 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate

2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate (PubChem CID 24966297) has the molecular formula C18H18Cl2N4O2 and a molecular weight of 393.27 g/mol. Its IUPAC name is 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate.

Molecular Properties

Compound Name2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate
PubChem CID24966297
Molecular FormulaC18H18Cl2N4O2
Molecular Weight393.27 g/mol
Exact Mass392.08
IUPAC Name2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate
SMILESCCC(=O)OCC(C)Nc1c(-c2ccccc2Cl)c(Cl)nc2ccnn12
InChIInChI=1S/C18H18Cl2N4O2/c1-3-15(25)26-10-11(2)22-18-16(12-6-4-5-7-13(12)19)17(20)23-14-8-9-21-24(14)18/h4-9,11,22H,3,10H2,1-2H3
InChIKeyXGKUIBUEDGPMNR-UHFFFAOYSA-N
XLogP4.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate with MolForge

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Related Compounds

N-(1-but-1-en-2-yloxypropan-2-yl)-5-chloro-6-(2-chloro-6-fluorophenyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 24967732
ethyl 7-chloro-4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
CID 69309181
4,6-dichloro-5-(2-chlorophenyl)-2-pentan-3-ylpyrimidine
CID 79439039
5,7-dichloro-6-phenylpyrazolo[1,5-a]pyrimidine
CID 59427807
ethyl 2-[[2-(2-chlorophenyl)-5-methylimidazo[1,2-a]pyridin-3-yl]amino]acetate
CID 42738246
5,7-dichloro-6-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine
CID 164889382
N-butan-2-yl-2-tert-butyl-5-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46079790
N-[(2S)-butan-2-yl]-5-(2-chlorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 93009055
6-chloro-5-(2-chlorophenyl)-2-methylsulfonyl-N-propan-2-ylpyrimidin-4-amine
CID 87636483
N-[1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]pentanamide
CID 17101557
ethyl 2-[[3-(2-chlorophenyl)-1-methylpyrazol-5-yl]amino]-3-methylbutanoate
CID 134116957
methyl 7-chloropyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 59764217

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate?
The IUPAC name of 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate (CID 24966297) is 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate.
What is the SMILES notation for 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate?
The canonical SMILES for 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate is CCC(=O)OCC(C)Nc1c(-c2ccccc2Cl)c(Cl)nc2ccnn12.
What is the InChIKey of 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate?
The InChIKey is XGKUIBUEDGPMNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2N4O2/c1-3-15(25)26-10-11(2)22-18-16(12-6-4-5-7-13(12)19)17(20)23-14-8-9-21-24(14)18/h4-9,11,22H,3,10H2,1-2H3.
What are the key properties of 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate?
2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate has a molecular weight of 393.27 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-6-(2-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl propanoate is sourced from PubChem (CID 24966297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).