[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

C21H20FN5O — CID 163385884

IUPAC[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncc1)N1CCC(F)(Cc2cnccn2)CC1
InChIInChI=1S/C21H20FN5O/c22-21(14-17-15-24-10-11-25-17)5-12-27(13-6-21)20(28)18-2-1-7-26-19(18)16-3-8-23-9-4-16/h1-4,7-11,15H,5-6,12-14H2
InChIKeyWSKYKDRQCDSHLL-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.12
Rot. Bonds4

About [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone

[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (PubChem CID 163385884) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
PubChem CID163385884
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone
SMILESO=C(c1cccnc1-c1ccncc1)N1CCC(F)(Cc2cnccn2)CC1
InChIInChI=1S/C21H20FN5O/c22-21(14-17-15-24-10-11-25-17)5-12-27(13-6-21)20(28)18-2-1-7-26-19(18)16-3-8-23-9-4-16/h1-4,7-11,15H,5-6,12-14H2
InChIKeyWSKYKDRQCDSHLL-UHFFFAOYSA-N
XLogP3.12
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone with MolForge

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Related Compounds

Soticlestat
CID 73437845
Nibr-1282
CID 10278617
(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 464036
Sch 350634
CID 511332
2-Ethyl-9-methyl-13-[2-(pyridin-2-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470731
2-Ethyl-5-fluoro-9-methyl-13-[2-(pyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470745
2-Ethyl-9-methyl-13-[2-(2-methylpyridin-4-yl)ethyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470752
N,N-diethyl-4-[[1-[(4-fluorophenyl)methyl]piperidin-4-ylidene]-pyridin-2-ylmethyl]benzamide
CID 57394195
(2,4-Dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10413034
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
(S)-3-Amino-N-(4-(3-aminopiperidin-1-yl)pyridin-3-yl)-6-(2,6-difluorophenyl)picolinamide
CID 24894053
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The IUPAC name of [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone (CID 163385884) is [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone.
What is the SMILES notation for [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The canonical SMILES for [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is O=C(c1cccnc1-c1ccncc1)N1CCC(F)(Cc2cnccn2)CC1.
What is the InChIKey of [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
The InChIKey is WSKYKDRQCDSHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-21(14-17-15-24-10-11-25-17)5-12-27(13-6-21)20(28)18-2-1-7-26-19(18)16-3-8-23-9-4-16/h1-4,7-11,15H,5-6,12-14H2.
What are the key properties of [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone?
[4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone has a molecular weight of 377.42 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-4-(pyrazin-2-ylmethyl)piperidin-1-yl]-(2-pyridin-4-yl-3-pyridinyl)methanone is sourced from PubChem (CID 163385884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).