4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile

C25H27FN6 — CID 146814733

IUPAC4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCC1CCN(c2cnc(-c3ccc(N(C)C)nc3)c(-c3ccc(C#N)c(F)c3)n2)CC1
InChIInChI=1S/C25H27FN6/c1-4-17-9-11-32(12-10-17)23-16-29-24(20-7-8-22(28-15-20)31(2)3)25(30-23)18-5-6-19(14-27)21(26)13-18/h5-8,13,15-17H,4,9-12H2,1-3H3
InChIKeySAWBENHDLWJYNY-UHFFFAOYSA-N
MW430.53 g/mol
LogP4.91
Rot. Bonds5

About 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile

4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 146814733) has the molecular formula C25H27FN6 and a molecular weight of 430.53 g/mol. Its IUPAC name is 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID146814733
Molecular FormulaC25H27FN6
Molecular Weight430.53 g/mol
Exact Mass430.23
IUPAC Name4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCCC1CCN(c2cnc(-c3ccc(N(C)C)nc3)c(-c3ccc(C#N)c(F)c3)n2)CC1
InChIInChI=1S/C25H27FN6/c1-4-17-9-11-32(12-10-17)23-16-29-24(20-7-8-22(28-15-20)31(2)3)25(30-23)18-5-6-19(14-27)21(26)13-18/h5-8,13,15-17H,4,9-12H2,1-3H3
InChIKeySAWBENHDLWJYNY-UHFFFAOYSA-N
XLogP4.91
TPSA68.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-{6-[3-(Piperazin-1-Yl)phenyl]pyridin-2-Yl}-4-(Trifluoromethyl)pyridin-2-Amine
CID 56947354
N-[4-(Trifluoromethyl)phenyl]-N-[1-[5-(Trifluoromethyl)pyridin-2-Yl]piperidin-4-Yl]pyridin-3-Amine
CID 71720883
4-Methyl-6-(2-(5-(4-Methylpiperazin-1-Yl)pyridin-3-Yl)ethyl)pyridin-2-Amine
CID 119057273
2-{4-[3-(6-Methylpyridin-2-yl)prop-2-ynylidene]piperidin-1-yl}-5-phenylnicotinonitrile
CID 87550659
2-Amino-6-phenyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 936638
2-Amino-5-methyl-6-phenyl-4-pyridin-3-ylpyridine-3-carbonitrile
CID 938116
1-(4-Cyanobenzyl)-5-(4-pyridyl)-1H-imidazole
CID 45103911
1-Pyridin-2-yl-4-[2-(4-pyridin-2-yl-cyclohex-3-enyl)-ethyl]-piperazine
CID 15079633
6-(3-piperazin-4-ium-1-ylphenyl)-N-[4-(trifluoromethyl)pyridin-2-yl]pyridin-2-amine
CID 72200762
4-(Diethylamino)-6-phenyl-2-(2-pyridinyl)-5-pyrimidinecarbonitrile
CID 1480482
3-(4-Fluorophenyl)-1-methyl-5-piperazin-1-yl-4-pyridin-4-ylpyrrole-2-carbonitrile
CID 10021487
N,N-diethyl-3-[4-(4-fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]propan-1-amine
CID 10043599

Frequently Asked Questions

What is the IUPAC name of 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile (CID 146814733) is 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile is CCC1CCN(c2cnc(-c3ccc(N(C)C)nc3)c(-c3ccc(C#N)c(F)c3)n2)CC1.
What is the InChIKey of 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is SAWBENHDLWJYNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN6/c1-4-17-9-11-32(12-10-17)23-16-29-24(20-7-8-22(28-15-20)31(2)3)25(30-23)18-5-6-19(14-27)21(26)13-18/h5-8,13,15-17H,4,9-12H2,1-3H3.
What are the key properties of 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 430.53 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 146814733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).