[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

C24H22Cl2FN5O — CID 135450099

IUPAC[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cc(Cl)cc(Cl)c2)n2nccc2N1
InChIInChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-10-8-30(9-11-31)20-4-2-19(27)3-5-20)23(32-21(29-15)6-7-28-32)16-12-17(25)14-18(26)13-16/h2-7,12-14,23,29H,8-11H2,1H3
InChIKeyVMNSYHUFJPXNAW-UHFFFAOYSA-N
MW486.38 g/mol
LogP4.97
Rot. Bonds3

About [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone

[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (PubChem CID 135450099) has the molecular formula C24H22Cl2FN5O and a molecular weight of 486.38 g/mol. Its IUPAC name is [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
PubChem CID135450099
Molecular FormulaC24H22Cl2FN5O
Molecular Weight486.38 g/mol
Exact Mass485.12
IUPAC Name[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
SMILESCC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cc(Cl)cc(Cl)c2)n2nccc2N1
InChIInChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-10-8-30(9-11-31)20-4-2-19(27)3-5-20)23(32-21(29-15)6-7-28-32)16-12-17(25)14-18(26)13-16/h2-7,12-14,23,29H,8-11H2,1H3
InChIKeyVMNSYHUFJPXNAW-UHFFFAOYSA-N
XLogP4.97
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.38
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The IUPAC name of [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone (CID 135450099) is [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is CC1=C(C(=O)N2CCN(c3ccc(F)cc3)CC2)C(c2cc(Cl)cc(Cl)c2)n2nccc2N1.
What is the InChIKey of [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
The InChIKey is VMNSYHUFJPXNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FN5O/c1-15-22(24(33)31-10-8-30(9-11-31)20-4-2-19(27)3-5-20)23(32-21(29-15)6-7-28-32)16-12-17(25)14-18(26)13-16/h2-7,12-14,23,29H,8-11H2,1H3.
What are the key properties of [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone?
[7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone has a molecular weight of 486.38 g/mol, XLogP of 4.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(3,5-dichlorophenyl)-5-methyl-4,7-dihydropyrazolo[1,5-a]pyrimidin-6-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 135450099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).