4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile

C25H24N6 — CID 118920633

IUPAC4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
SMILESCn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C25H24N6/c1-30-16-20-12-19(6-7-24(20)29-30)23-15-28-25(31-10-8-21(27)9-11-31)13-22(23)18-4-2-17(14-26)3-5-18/h2-7,12-13,15-16,21H,8-11,27H2,1H3
InChIKeySNIKLFLRIFHBFY-UHFFFAOYSA-N
MW408.51 g/mol
LogP4.10
Rot. Bonds3

About 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile

4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile (PubChem CID 118920633) has the molecular formula C25H24N6 and a molecular weight of 408.51 g/mol. Its IUPAC name is 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
PubChem CID118920633
Molecular FormulaC25H24N6
Molecular Weight408.51 g/mol
Exact Mass408.21
IUPAC Name4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile
SMILESCn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)cc3)ccc2n1
InChIInChI=1S/C25H24N6/c1-30-16-20-12-19(6-7-24(20)29-30)23-15-28-25(31-10-8-21(27)9-11-31)13-22(23)18-4-2-17(14-26)3-5-18/h2-7,12-13,15-16,21H,8-11,27H2,1H3
InChIKeySNIKLFLRIFHBFY-UHFFFAOYSA-N
XLogP4.10
TPSA83.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920627
4-[2-[4-(dimethylamino)piperidin-1-yl]-5-(2-methylindazol-5-yl)-4-pyridinyl]-2-fluorobenzonitrile
CID 118920626
4-[2-(4-aminopiperidin-1-yl)-6-methoxy-5-(2-methylindazol-5-yl)pyrimidin-4-yl]benzonitrile
CID 118142151
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920657
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-5-yl)pyrazin-2-yl]-2-fluorobenzonitrile
CID 118917219
4-[6-(4-aminopiperidin-1-yl)-3-(2-methylindazol-6-yl)pyridazin-4-yl]-2-fluorobenzonitrile
CID 118920649
4-[6-(4-aminopiperidin-1-yl)-3-(1-methylbenzotriazol-5-yl)pyrazin-2-yl]benzonitrile
CID 121283107
4-[2-(4-aminopiperidin-1-yl)-6-(methylamino)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]-2-fluorobenzonitrile
CID 118142175
4-[5-[4-(dimethylamino)piperidin-1-yl]-2-(2-methylindazol-5-yl)-3-pyridinyl]-2-fluorobenzonitrile
CID 118920717
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)-1-methyl-6-oxo-5-(6-pyrrolidin-1-yl-3-pyridinyl)pyrimidin-4-yl]benzonitrile
CID 163693180
4-[2-(3-fluoropiperidin-1-yl)-6-(methylamino)-5-(2-methylindazol-5-yl)pyrimidin-4-yl]benzonitrile
CID 123503272

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile?
The IUPAC name of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile (CID 118920633) is 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile is Cn1cc2cc(-c3cnc(N4CCC(N)CC4)cc3-c3ccc(C#N)cc3)ccc2n1.
What is the InChIKey of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile?
The InChIKey is SNIKLFLRIFHBFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6/c1-30-16-20-12-19(6-7-24(20)29-30)23-15-28-25(31-10-8-21(27)9-11-31)13-22(23)18-4-2-17(14-26)3-5-18/h2-7,12-13,15-16,21H,8-11,27H2,1H3.
What are the key properties of 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile?
4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile has a molecular weight of 408.51 g/mol, XLogP of 4.10, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-aminopiperidin-1-yl)-5-(2-methylindazol-5-yl)-4-pyridinyl]benzonitrile is sourced from PubChem (CID 118920633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).