[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C19H20FN5O — CID 53192233

IUPAC[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H20FN5O/c1-24-10-3-5-16(24)19(26)25-11-2-4-14(12-25)18-21-17(22-23-18)13-6-8-15(20)9-7-13/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,22,23)
InChIKeyBPKSRHGSXQSBQC-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.97
Rot. Bonds3

About [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 53192233) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID53192233
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1
InChIInChI=1S/C19H20FN5O/c1-24-10-3-5-16(24)19(26)25-11-2-4-14(12-25)18-21-17(22-23-18)13-6-8-15(20)9-7-13/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,22,23)
InChIKeyBPKSRHGSXQSBQC-UHFFFAOYSA-N
XLogP2.97
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Takeda103A
CID 11155477
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
2-[(1S)-1-[[6-amino-5-(2H-tetrazol-5-yl)pyrimidin-4-yl]amino]ethyl]-3-phenylpyrrolo[2,1-f][1,2,4]triazin-4-one
CID 134157628
2-[(3,4-Difluorophenyl)methyl]-7-[5-methyl-2-[(2-methylpyrazol-3-yl)amino]pyrimidin-4-yl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 155566604
N-[(2,6-difluorophenyl)methyl]-3-[(4-methyl-5-pyrimidin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 11524891
SCD1 inhibitor-3
CID 51354459
3-(1-(4-fluorobenzyl)-5-oxo-1H-1,2,4-triazol-4(5H)-yl)-N-(pyridin-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 51355016
USRE48711, Example 184
CID 58103093
(4-fluorophenyl)-[(8R)-8-methyl-3-pyridin-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453148
2-fluoro-N-(6-(4-isopropyl-4H-1,2,4-triazol-3-yl)pyridin-2-yl)-4-methylbenzamide
CID 134137100
N-[(1R,3S)-3-[3-(2,3-dimethylimidazol-4-yl)-1H-1,2,4-triazol-5-yl]cyclohexyl]-N-methyl-3-(trifluoromethyl)benzamide
CID 134194661
N-benzyl-3-[[3-(3-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methylamino]benzamide
CID 137634374

Frequently Asked Questions

What is the IUPAC name of [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 53192233) is [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCCC(c2nc(-c3ccc(F)cc3)n[nH]2)C1.
What is the InChIKey of [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is BPKSRHGSXQSBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24-10-3-5-16(24)19(26)25-11-2-4-14(12-25)18-21-17(22-23-18)13-6-8-15(20)9-7-13/h3,5-10,14H,2,4,11-12H2,1H3,(H,21,22,23).
What are the key properties of [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 353.40 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(4-fluorophenyl)-1H-1,2,4-triazol-5-yl]piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 53192233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).