2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile

C22H19ClFN5 — CID 71199912

IUPAC2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile
SMILESN#CCC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C22H19ClFN5/c23-19-12-26-10-8-18(19)22-21(16-3-5-17(24)6-4-16)27-13-20(28-22)29-11-1-2-15(14-29)7-9-25/h3-6,8,10,12-13,15H,1-2,7,11,14H2
InChIKeyOMFLWGFHKFXTSC-UHFFFAOYSA-N
MW407.88 g/mol
LogP5.13
Rot. Bonds4

About 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile

2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile (PubChem CID 71199912) has the molecular formula C22H19ClFN5 and a molecular weight of 407.88 g/mol. Its IUPAC name is 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile.

Molecular Properties

Compound Name2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile
PubChem CID71199912
Molecular FormulaC22H19ClFN5
Molecular Weight407.88 g/mol
Exact Mass407.13
IUPAC Name2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile
SMILESN#CCC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1
InChIInChI=1S/C22H19ClFN5/c23-19-12-26-10-8-18(19)22-21(16-3-5-17(24)6-4-16)27-13-20(28-22)29-11-1-2-15(14-29)7-9-25/h3-6,8,10,12-13,15H,1-2,7,11,14H2
InChIKeyOMFLWGFHKFXTSC-UHFFFAOYSA-N
XLogP5.13
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.88
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-pyridinyl)-2-(4-fluorophenyl)-5-(3-methoxypiperidin-1-yl)pyrazine
CID 143313116
1-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]piperidine-3-carboxamide
CID 71199862
2-amino-1-[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]butan-1-ol
CID 143313538
[1-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperidin-4-yl]methanol
CID 143313324
2-chloropropan-2-yl 4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazine-1-carboxylate
CID 143313654
N-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]-3-methoxypropanamide
CID 71199918
(2R)-1-[[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-4-yl]amino]-3-methoxypropan-2-ol
CID 143313142
[4-[5-(4-chlorophenyl)-6-(3-chloro-4-pyridinyl)pyrazin-2-yl]morpholin-2-yl]methanol
CID 71199820
[4-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 71200135
3-(3-chloro-4-pyridinyl)-2-(2,4-difluorophenyl)-5-(4-methylsulfonylpiperidin-1-yl)pyrazine
CID 71200314
1-[4-[6-(3-chloro-4-pyridinyl)-5-(2,4-difluorophenyl)pyrazin-2-yl]piperazin-1-yl]propan-1-one
CID 71200253
1-[4-[6-(3-amino-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 89365452

Frequently Asked Questions

What is the IUPAC name of 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile?
The IUPAC name of 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile (CID 71199912) is 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile.
What is the SMILES notation for 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile?
The canonical SMILES for 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile is N#CCC1CCCN(c2cnc(-c3ccc(F)cc3)c(-c3ccncc3Cl)n2)C1.
What is the InChIKey of 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile?
The InChIKey is OMFLWGFHKFXTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClFN5/c23-19-12-26-10-8-18(19)22-21(16-3-5-17(24)6-4-16)27-13-20(28-22)29-11-1-2-15(14-29)7-9-25/h3-6,8,10,12-13,15H,1-2,7,11,14H2.
What are the key properties of 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile?
2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile has a molecular weight of 407.88 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[6-(3-chloro-4-pyridinyl)-5-(4-fluorophenyl)pyrazin-2-yl]piperidin-3-yl]acetonitrile is sourced from PubChem (CID 71199912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).