1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

C24H20Cl3N5O — CID 169148065

IUPAC1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(Cl)nc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C24H20Cl3N5O/c25-16-9-7-14(8-10-16)21-22(17-5-1-2-6-18(17)26)30-32-20(12-19(27)29-24(21)32)31-11-3-4-15(13-31)23(28)33/h1-2,5-10,12,15H,3-4,11,13H2,(H2,28,33)
InChIKeyDFGIBIOHVUDJLQ-UHFFFAOYSA-N
MW500.82 g/mol
LogP5.73
Rot. Bonds4

About 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide

1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (PubChem CID 169148065) has the molecular formula C24H20Cl3N5O and a molecular weight of 500.82 g/mol. Its IUPAC name is 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
PubChem CID169148065
Molecular FormulaC24H20Cl3N5O
Molecular Weight500.82 g/mol
Exact Mass499.07
IUPAC Name1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2cc(Cl)nc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1
InChIInChI=1S/C24H20Cl3N5O/c25-16-9-7-14(8-10-16)21-22(17-5-1-2-6-18(17)26)30-32-20(12-19(27)29-24(21)32)31-11-3-4-15(13-31)23(28)33/h1-2,5-10,12,15H,3-4,11,13H2,(H2,28,33)
InChIKeyDFGIBIOHVUDJLQ-UHFFFAOYSA-N
XLogP5.73
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.82
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-4-ethoxypiperidine-4-carboxamide
CID 169148084
3-[[7-[(3R)-3-(2-amino-2-oxoethyl)pyrrolidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]propanamide
CID 169147952
2-[(3R)-1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-[dimethylphosphorylmethyl(methyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]pyrrolidin-3-yl]acetamide
CID 169148069
3-[[7-[3-(2-amino-2-oxoethyl)azetidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]propanamide
CID 169148025
1-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]-4-pyrrolidin-1-ylpiperidine-4-carboxamide
CID 11226423
3-[[7-[3-(2-amino-2-oxoethyl)azetidin-1-yl]-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-methylamino]-N-methylpropanamide
CID 169148032
(3S)-1-(2,3-dimethyl-5-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperidine-3-carboxamide
CID 95868489
1-(5-chloro-4-phenyl-2-pyridinyl)piperidine-3-carboxamide
CID 174659372
7-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
CID 21083721
1-[3-[7-(2-chlorophenyl)-8-(4-chlorophenyl)pyrazolo[1,5-a][1,3,5]triazin-4-yl]propylamino]azetidine-3-carboxamide
CID 175245228
1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
CID 71199862
1-[2-(2-chlorophenyl)-3-(4-chlorophenyl)-5-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyrimidin-7-yl]-4-propan-2-yloxypiperidine-4-carboxamide
CID 169147961

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide (CID 169148065) is 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2cc(Cl)nc3c(-c4ccc(Cl)cc4)c(-c4ccccc4Cl)nn23)C1.
What is the InChIKey of 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
The InChIKey is DFGIBIOHVUDJLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl3N5O/c25-16-9-7-14(8-10-16)21-22(17-5-1-2-6-18(17)26)30-32-20(12-19(27)29-24(21)32)31-11-3-4-15(13-31)23(28)33/h1-2,5-10,12,15H,3-4,11,13H2,(H2,28,33).
What are the key properties of 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide?
1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide has a molecular weight of 500.82 g/mol, XLogP of 5.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-(2-chlorophenyl)-3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-3-carboxamide is sourced from PubChem (CID 169148065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).