[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone

C17H18F2N4O2 — CID 136551075

IUPAC[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)nc1
InChIInChI=1S/C17H18F2N4O2/c1-25-13-3-5-15(21-11-13)22-6-8-23(9-7-22)17(24)12-2-4-14(16(18)19)20-10-12/h2-5,10-11,16H,6-9H2,1H3
InChIKeyLUXMFMYTIMJKLE-UHFFFAOYSA-N
MW348.35 g/mol
LogP2.39
Rot. Bonds4

About [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone

[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 136551075) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
PubChem CID136551075
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)nc1
InChIInChI=1S/C17H18F2N4O2/c1-25-13-3-5-15(21-11-13)22-6-8-23(9-7-22)17(24)12-2-4-14(16(18)19)20-10-12/h2-5,10-11,16H,6-9H2,1H3
InChIKeyLUXMFMYTIMJKLE-UHFFFAOYSA-N
XLogP2.39
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 83971609
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109154538
[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109154708
[4-(4-fluorophenyl)piperazin-1-yl]-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanone
CID 109152530
4-[[[4-(5-methoxy-2-pyridinyl)piperazine-1-carbonyl]amino]methyl]benzoic acid
CID 122019942
[6-[4-(3,5-dimethoxyanilino)piperidin-1-yl]-3-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 133337448
[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]-[2-(trifluoromethyl)-1,3-oxazol-4-yl]methanone
CID 136558415
(4-methoxyphenyl)-[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 7292395
(4-methoxyphenyl)-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]piperazin-1-yl]methanone
CID 121053460
(6-methoxy-3-pyridinyl)-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)piperazin-1-yl]methanone
CID 122334454
[6-(azepan-1-yl)-3-pyridinyl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109159681
6-[4-(3,5-dimethoxybenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 34010287

Frequently Asked Questions

What is the IUPAC name of [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 136551075) is [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3ccc(C(F)F)nc3)CC2)nc1.
What is the InChIKey of [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is LUXMFMYTIMJKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-25-13-3-5-15(21-11-13)22-6-8-23(9-7-22)17(24)12-2-4-14(16(18)19)20-10-12/h2-5,10-11,16H,6-9H2,1H3.
What are the key properties of [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
[6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 348.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(difluoromethyl)-3-pyridinyl]-[4-(5-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136551075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).