4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

C26H25N9 — CID 118657395

IUPAC4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCNC1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3cnc4c(cnn4C)c3)n3ccnc23)CC1
InChIInChI=1S/C26H25N9/c1-28-21-7-10-34(11-8-21)26-25-29-9-12-35(25)23(19-13-20-16-31-33(2)24(20)30-15-19)22(32-26)18-5-3-17(14-27)4-6-18/h3-6,9,12-13,15-16,21,28H,7-8,10-11H2,1-2H3
InChIKeyFSLFZKMROGWLCA-UHFFFAOYSA-N
MW463.55 g/mol
LogP3.40
Rot. Bonds4

About 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile

4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (PubChem CID 118657395) has the molecular formula C26H25N9 and a molecular weight of 463.55 g/mol. Its IUPAC name is 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.

Molecular Properties

Compound Name4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
PubChem CID118657395
Molecular FormulaC26H25N9
Molecular Weight463.55 g/mol
Exact Mass463.22
IUPAC Name4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile
SMILESCNC1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3cnc4c(cnn4C)c3)n3ccnc23)CC1
InChIInChI=1S/C26H25N9/c1-28-21-7-10-34(11-8-21)26-25-29-9-12-35(25)23(19-13-20-16-31-33(2)24(20)30-15-19)22(32-26)18-5-3-17(14-27)4-6-18/h3-6,9,12-13,15-16,21,28H,7-8,10-11H2,1-2H3
InChIKeyFSLFZKMROGWLCA-UHFFFAOYSA-N
XLogP3.40
TPSA99.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The IUPAC name of 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile (CID 118657395) is 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile.
What is the SMILES notation for 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The canonical SMILES for 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is CNC1CCN(c2nc(-c3ccc(C#N)cc3)c(-c3cnc4c(cnn4C)c3)n3ccnc23)CC1.
What is the InChIKey of 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
The InChIKey is FSLFZKMROGWLCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N9/c1-28-21-7-10-34(11-8-21)26-25-29-9-12-35(25)23(19-13-20-16-31-33(2)24(20)30-15-19)22(32-26)18-5-3-17(14-27)4-6-18/h3-6,9,12-13,15-16,21,28H,7-8,10-11H2,1-2H3.
What are the key properties of 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile?
4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile has a molecular weight of 463.55 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[4-(methylamino)piperidin-1-yl]-5-(1-methylpyrazolo[3,4-b]pyridin-5-yl)imidazo[1,2-a]pyrazin-6-yl]benzonitrile is sourced from PubChem (CID 118657395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).