[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

C26H26FN5O — CID 19518878

IUPAC[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C26H26FN5O/c1-18-23(17-30(2)29-18)25-15-22(21-5-3-4-6-24(21)28-25)26(33)32-13-11-31(12-14-32)16-19-7-9-20(27)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyPCOQAORYMQCUFW-UHFFFAOYSA-N
MW443.53 g/mol
LogP4.04
Rot. Bonds4

About [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone

[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (PubChem CID 19518878) has the molecular formula C26H26FN5O and a molecular weight of 443.53 g/mol. Its IUPAC name is [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
PubChem CID19518878
Molecular FormulaC26H26FN5O
Molecular Weight443.53 g/mol
Exact Mass443.21
IUPAC Name[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
SMILESCc1nn(C)cc1-c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2n1
InChIInChI=1S/C26H26FN5O/c1-18-23(17-30(2)29-18)25-15-22(21-5-3-4-6-24(21)28-25)26(33)32-13-11-31(12-14-32)16-19-7-9-20(27)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3
InChIKeyPCOQAORYMQCUFW-UHFFFAOYSA-N
XLogP4.04
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518876
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19518889
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518929
[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1-ethyl-3-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518857
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]methanone
CID 19518891
[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-[2-(1,5-dimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518924
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-[2-(1,3,5-trimethylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518944
2-(1,3-dimethylpyrazol-4-yl)-N-[(1S)-1-(4-fluorophenyl)propyl]-N-methylquinoline-4-carboxamide
CID 92626939
(4-benzylpiperazin-1-yl)-[6-fluoro-2-(1-methylpyrrol-2-yl)quinolin-4-yl]methanone
CID 42750082
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
(4-benzylpiperazin-1-yl)-(2-thiophen-3-ylquinolin-4-yl)methanone
CID 3548276
(1-ethyl-3-methylpyrazol-4-yl)-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone
CID 19478100

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone (CID 19518878) is [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is Cc1nn(C)cc1-c1cc(C(=O)N2CCN(Cc3ccc(F)cc3)CC2)c2ccccc2n1.
What is the InChIKey of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is PCOQAORYMQCUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O/c1-18-23(17-30(2)29-18)25-15-22(21-5-3-4-6-24(21)28-25)26(33)32-13-11-31(12-14-32)16-19-7-9-20(27)10-8-19/h3-10,15,17H,11-14,16H2,1-2H3.
What are the key properties of [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone?
[2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 443.53 g/mol, XLogP of 4.04, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dimethylpyrazol-4-yl)quinolin-4-yl]-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 19518878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).