1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine

C20H20ClFN4 — CID 3326668

IUPAC1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccn2-c2cccnc2Cl)CC1
InChIInChI=1S/C20H20ClFN4/c21-20-19(8-3-9-23-20)26-10-4-5-16(26)15-24-11-13-25(14-12-24)18-7-2-1-6-17(18)22/h1-10H,11-15H2
InChIKeyJBAIPJXVVLVHCO-UHFFFAOYSA-N
MW370.86 g/mol
LogP3.99
Rot. Bonds4

About 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine

1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine (PubChem CID 3326668) has the molecular formula C20H20ClFN4 and a molecular weight of 370.86 g/mol. Its IUPAC name is 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine.

Molecular Properties

Compound Name1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
PubChem CID3326668
Molecular FormulaC20H20ClFN4
Molecular Weight370.86 g/mol
Exact Mass370.14
IUPAC Name1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine
SMILESFc1ccccc1N1CCN(Cc2cccn2-c2cccnc2Cl)CC1
InChIInChI=1S/C20H20ClFN4/c21-20-19(8-3-9-23-20)26-10-4-5-16(26)15-24-11-13-25(14-12-24)18-7-2-1-6-17(18)22/h1-10H,11-15H2
InChIKeyJBAIPJXVVLVHCO-UHFFFAOYSA-N
XLogP3.99
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.86
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-3,4-dihydro-1H-isoquinoline
CID 3276737
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyrimidine
CID 45206430
3-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 11324351
1-(2-fluorophenyl)-4-[[2-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 171690442
1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]piperidine-3-carboxamide
CID 3968198
2-[2-[[3-[4-(2-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]pyrrol-1-yl]-1,3-thiazole
CID 56718757
1-(2-chloro-3-pyridinyl)-4-propylpiperazine
CID 174659885
2-[4-(2-fluorophenyl)piperazin-1-yl]pyrimidine;dihydrochloride
CID 174610452
1-[(2,4-dichlorophenyl)methyl]-4-(2-fluorophenyl)piperazine
CID 750916
5-chloro-4-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]thiadiazole
CID 60671383
2-(2-chlorophenyl)-5-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17409652
N-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-N',N'-dimethylethane-1,2-diamine
CID 4312407

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The IUPAC name of 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine (CID 3326668) is 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine.
What is the SMILES notation for 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The canonical SMILES for 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine is Fc1ccccc1N1CCN(Cc2cccn2-c2cccnc2Cl)CC1.
What is the InChIKey of 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
The InChIKey is JBAIPJXVVLVHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN4/c21-20-19(8-3-9-23-20)26-10-4-5-16(26)15-24-11-13-25(14-12-24)18-7-2-1-6-17(18)22/h1-10H,11-15H2.
What are the key properties of 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine?
1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine has a molecular weight of 370.86 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-chloro-3-pyridinyl)pyrrol-2-yl]methyl]-4-(2-fluorophenyl)piperazine is sourced from PubChem (CID 3326668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).