1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

C23H25Cl2N5O2 — CID 55660584

IUPAC1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2nc(C)c(CCC(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(C)n2n1
InChIInChI=1S/C23H25Cl2N5O2/c1-14-12-21-26-15(2)18(16(3)30(21)27-14)6-7-22(31)28-8-10-29(11-9-28)23(32)19-5-4-17(24)13-20(19)25/h4-5,12-13H,6-11H2,1-3H3
InChIKeyIWZZYINRALNYFK-UHFFFAOYSA-N
MW474.39 g/mol
LogP3.88
Rot. Bonds4

About 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one

1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (PubChem CID 55660584) has the molecular formula C23H25Cl2N5O2 and a molecular weight of 474.39 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
PubChem CID55660584
Molecular FormulaC23H25Cl2N5O2
Molecular Weight474.39 g/mol
Exact Mass473.14
IUPAC Name1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
SMILESCc1cc2nc(C)c(CCC(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(C)n2n1
InChIInChI=1S/C23H25Cl2N5O2/c1-14-12-21-26-15(2)18(16(3)30(21)27-14)6-7-22(31)28-8-10-29(11-9-28)23(32)19-5-4-17(24)13-20(19)25/h4-5,12-13H,6-11H2,1-3H3
InChIKeyIWZZYINRALNYFK-UHFFFAOYSA-N
XLogP3.88
TPSA70.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.39
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-chloro-2-(pyrrolidine-1-carbonyl)phenyl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanamide
CID 55777121
1-[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46579509
1-[4-(3-methoxybenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38046949
2-methyl-2-phenyl-1-[4-[3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propanoyl]piperazin-1-yl]propan-1-one
CID 38453977
1-[4-(2,4-dimethylphenyl)sulfonylpiperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 46634625
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 154737866
1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 38508238
1-[4-(4-hydroxyphenyl)piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 51327542
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 110364942
methyl 4-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-4-oxobutanoate
CID 110817882
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 9489833
1-[4-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one
CID 55465695

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The IUPAC name of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one (CID 55660584) is 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one.
What is the SMILES notation for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The canonical SMILES for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is Cc1cc2nc(C)c(CCC(=O)N3CCN(C(=O)c4ccc(Cl)cc4Cl)CC3)c(C)n2n1.
What is the InChIKey of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
The InChIKey is IWZZYINRALNYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25Cl2N5O2/c1-14-12-21-26-15(2)18(16(3)30(21)27-14)6-7-22(31)28-8-10-29(11-9-28)23(32)19-5-4-17(24)13-20(19)25/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one?
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one has a molecular weight of 474.39 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-(2,5,7-trimethylpyrazolo[1,5-a]pyrimidin-6-yl)propan-1-one is sourced from PubChem (CID 55660584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).