4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile

C24H22FN7 — CID 118917219

IUPAC4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCn1cc2cc(-c3ncc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)ccc2n1
InChIInChI=1S/C24H22FN7/c1-31-14-18-10-15(4-5-21(18)30-31)23-24(16-2-3-17(12-26)20(25)11-16)29-22(13-28-23)32-8-6-19(27)7-9-32/h2-5,10-11,13-14,19H,6-9,27H2,1H3
InChIKeyHHIFWBWALDMKNX-UHFFFAOYSA-N
MW427.49 g/mol
LogP3.64
Rot. Bonds3

About 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile

4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile (PubChem CID 118917219) has the molecular formula C24H22FN7 and a molecular weight of 427.49 g/mol. Its IUPAC name is 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile.

Molecular Properties

Compound Name4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
PubChem CID118917219
Molecular FormulaC24H22FN7
Molecular Weight427.49 g/mol
Exact Mass427.19
IUPAC Name4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
SMILESCn1cc2cc(-c3ncc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)ccc2n1
InChIInChI=1S/C24H22FN7/c1-31-14-18-10-15(4-5-21(18)30-31)23-24(16-2-3-17(12-26)20(25)11-16)29-22(13-28-23)32-8-6-19(27)7-9-32/h2-5,10-11,13-14,19H,6-9,27H2,1H3
InChIKeyHHIFWBWALDMKNX-UHFFFAOYSA-N
XLogP3.64
TPSA96.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.49
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920627
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920657
4-[2-[4-(dimethylamino)piperidin-1-yl]-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920626
4-[5-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920717
4-[2-(4-aminopiperidin-1-yl)-6-(methylamino)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142175
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920649
2-fluoro-4-[5-[4-(methylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]benzonitrile
CID 118920722
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
CID 118920633
4-[6-(4-ethylpiperidin-1-yl)-3-(6-fluoro-1-methylbenzimidazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 147695599
4-[3-[6-(dimethylamino)-3-pyridinyl]-6-(4-ethylpiperidin-1-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 146814733
4-[5-(4-aminopiperidin-1-yl)-6-methoxy-2-(2-methylindazol-6-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920640
4-[6-(4-aminopiperidin-1-yl)-3-[6,7-bis(fluoromethyl)-3H-benzimidazol-5-yl]pyrazin-2-yl]-2-fluorobenzonitrile
CID 118917241

Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The IUPAC name of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile (CID 118917219) is 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile.
What is the SMILES notation for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The canonical SMILES for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile is Cn1cc2cc(-c3ncc(N4CCC(N)CC4)nc3-c3ccc(C#N)c(F)c3)ccc2n1.
What is the InChIKey of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
The InChIKey is HHIFWBWALDMKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN7/c1-31-14-18-10-15(4-5-21(18)30-31)23-24(16-2-3-17(12-26)20(25)11-16)29-22(13-28-23)32-8-6-19(27)7-9-32/h2-5,10-11,13-14,19H,6-9,27H2,1H3.
What are the key properties of 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile?
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile has a molecular weight of 427.49 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile is sourced from PubChem (CID 118917219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).