1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone

C22H27Cl2N7O — CID 143477254

IUPAC1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)CC1
InChIInChI=1S/C22H27Cl2N7O/c1-2-6-25-15-22(32)30-10-8-29(9-11-30)21-13-20(31-19(28-21)5-7-27-31)26-14-16-3-4-17(23)12-18(16)24/h3-5,7,12-13,25-26H,2,6,8-11,14-15H2,1H3
InChIKeyATXBWTPNBGKTGA-UHFFFAOYSA-N
MW476.41 g/mol
LogP3.30
Rot. Bonds8

About 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone

1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone (PubChem CID 143477254) has the molecular formula C22H27Cl2N7O and a molecular weight of 476.41 g/mol. Its IUPAC name is 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone.

Molecular Properties

Compound Name1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone
PubChem CID143477254
Molecular FormulaC22H27Cl2N7O
Molecular Weight476.41 g/mol
Exact Mass475.17
IUPAC Name1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone
SMILESCCCNCC(=O)N1CCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)CC1
InChIInChI=1S/C22H27Cl2N7O/c1-2-6-25-15-22(32)30-10-8-29(9-11-30)21-13-20(31-19(28-21)5-7-27-31)26-14-16-3-4-17(23)12-18(16)24/h3-5,7,12-13,25-26H,2,6,8-11,14-15H2,1H3
InChIKeyATXBWTPNBGKTGA-UHFFFAOYSA-N
XLogP3.30
TPSA77.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.41
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[(3-Chlorophenyl)methyl]-2-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-5,6-dihydroimidazo[1,2-a]pyrazin-8-one
CID 129116708
6-(aminomethyl)-7-(2,4-dichlorophenyl)-5-methyl-N-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 11510166
4-Amino-N-(2,4-dichlorobenzyl)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 45142021
N-[3-(4-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]-N',N'-dimethylethane-1,2-diamine
CID 58826480
2,4-Dichloro-N-(1-(2-(piperidin-1-yl)ethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)benzamide hydrochloride
CID 71223427
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]acetamide
CID 134211057
N-[2-[(3R)-3-[1-[1-[(1R)-1-(2,4-dichlorophenyl)ethyl]-3-methylpyrazolo[3,4-b]pyrazin-6-yl]azetidin-3-yl]piperidin-1-yl]ethyl]-2-methylpropanamide
CID 134211225
[4-[1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]-[(2R)-piperidin-2-yl]methanone
CID 142450222
N-(4-chlorobenzyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 1097825
N-(4-{[3-(4-chlorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]amino}phenyl)acetamide
CID 1872520
N-[(2-chlorophenyl)methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2235561
1-[3-(4-chlorophenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl]-N-[2-(diethylamino)ethyl]piperidine-4-carboxamide
CID 16008300

Frequently Asked Questions

What is the IUPAC name of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone?
The IUPAC name of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone (CID 143477254) is 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone.
What is the SMILES notation for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone?
The canonical SMILES for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone is CCCNCC(=O)N1CCN(c2cc(NCc3ccc(Cl)cc3Cl)n3nccc3n2)CC1.
What is the InChIKey of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone?
The InChIKey is ATXBWTPNBGKTGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27Cl2N7O/c1-2-6-25-15-22(32)30-10-8-29(9-11-30)21-13-20(31-19(28-21)5-7-27-31)26-14-16-3-4-17(23)12-18(16)24/h3-5,7,12-13,25-26H,2,6,8-11,14-15H2,1H3.
What are the key properties of 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone?
1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone has a molecular weight of 476.41 g/mol, XLogP of 3.30, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[7-[(2,4-dichlorophenyl)methylamino]pyrazolo[1,5-a]pyrimidin-5-yl]piperazin-1-yl]-2-(propylamino)ethanone is sourced from PubChem (CID 143477254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).