7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

C24H23ClFN5 — CID 46299153

IUPAC7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H23ClFN5/c1-17-14-23(30-12-10-29(11-13-30)16-19-4-2-3-5-22(19)25)31-24(28-17)21(15-27-31)18-6-8-20(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeyGGQDQYJIGOJBEG-UHFFFAOYSA-N
MW435.93 g/mol
LogP4.82
Rot. Bonds4

About 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine

7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (PubChem CID 46299153) has the molecular formula C24H23ClFN5 and a molecular weight of 435.93 g/mol. Its IUPAC name is 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
PubChem CID46299153
Molecular FormulaC24H23ClFN5
Molecular Weight435.93 g/mol
Exact Mass435.16
IUPAC Name7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine
SMILESCc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2ncc(-c3ccc(F)cc3)c2n1
InChIInChI=1S/C24H23ClFN5/c1-17-14-23(30-12-10-29(11-13-30)16-19-4-2-3-5-22(19)25)31-24(28-17)21(15-27-31)18-6-8-20(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3
InChIKeyGGQDQYJIGOJBEG-UHFFFAOYSA-N
XLogP4.82
TPSA36.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.93
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-Cyclopropyl-2-(1-((2-fluorophenyl)methyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)-4-pyrimidinamine
CID 9798973
(R)-Zinc-3573
CID 95882507
5-(2,3-dichlorophenyl)-N-(pyridin-4-ylmethyl)pyrazolo(1,5-a)pyrimidin-7-amine
CID 21066087
N-((2-aminopyrimidin-5-yl)methyl)-5-(2,6-difluorophenyl)-3-ethylpyrazolo(1,5-a)pyrimidin-7-amine
CID 44629554
1-[(4-Chlorophenyl)methyl]-4-[4-(2-methylphenyl)-1-piperazinyl]pyrazolo[3,4-d]pyrimidine
CID 1542103
4-[6-(4-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]pyridine
CID 5329455
2-{3-Phenylpyrazolo[1,5-a]pyrimidin-6-yl}pyridine
CID 5329461
Pyrazolo[1,5-a]pyrimidine, 3-(4-fluorophenyl)-6-(4-pyridinyl)-
CID 5329462
4-[3-(3-Chlorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329463
4-[3-(3-Chloro-4-fluorophenyl)pyrazolo[1,5-a]pyrimidin-6-yl]pyridine
CID 5329464
Pyrazolo[1,5-b]pyridazine deriv. 84
CID 6539426
Pyrazolo[1,5-b]pyridazine deriv. 90
CID 6539432

Frequently Asked Questions

What is the IUPAC name of 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine (CID 46299153) is 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is Cc1cc(N2CCN(Cc3ccccc3Cl)CC2)n2ncc(-c3ccc(F)cc3)c2n1.
What is the InChIKey of 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
The InChIKey is GGQDQYJIGOJBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClFN5/c1-17-14-23(30-12-10-29(11-13-30)16-19-4-2-3-5-22(19)25)31-24(28-17)21(15-27-31)18-6-8-20(26)9-7-18/h2-9,14-15H,10-13,16H2,1H3.
What are the key properties of 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine?
7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine has a molecular weight of 435.93 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 46299153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).