6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine

C21H22N8 — CID 72715698

IUPAC6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCNCC3)n2)n1
InChIInChI=1S/C21H22N8/c1-14-10-23-13-18(26-14)17-9-19-15(11-24-17)12-25-29(19)21-4-2-3-20(28-21)27-16-5-7-22-8-6-16/h2-4,9-13,16,22H,5-8H2,1H3,(H,27,28)
InChIKeyXXTLQVLGJWHTST-UHFFFAOYSA-N
MW386.46 g/mol
LogP2.74
Rot. Bonds4

About 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine

6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine (PubChem CID 72715698) has the molecular formula C21H22N8 and a molecular weight of 386.46 g/mol. Its IUPAC name is 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine.

Molecular Properties

Compound Name6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine
PubChem CID72715698
Molecular FormulaC21H22N8
Molecular Weight386.46 g/mol
Exact Mass386.20
IUPAC Name6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCNCC3)n2)n1
InChIInChI=1S/C21H22N8/c1-14-10-23-13-18(26-14)17-9-19-15(11-24-17)12-25-29(19)21-4-2-3-20(28-21)27-16-5-7-22-8-6-16/h2-4,9-13,16,22H,5-8H2,1H3,(H,27,28)
InChIKeyXXTLQVLGJWHTST-UHFFFAOYSA-N
XLogP2.74
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine?
The IUPAC name of 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine (CID 72715698) is 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine.
What is the SMILES notation for 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine?
The canonical SMILES for 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine is Cc1cncc(-c2cc3c(cn2)cnn3-c2cccc(NC3CCNCC3)n2)n1.
What is the InChIKey of 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine?
The InChIKey is XXTLQVLGJWHTST-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N8/c1-14-10-23-13-18(26-14)17-9-19-15(11-24-17)12-25-29(19)21-4-2-3-20(28-21)27-16-5-7-22-8-6-16/h2-4,9-13,16,22H,5-8H2,1H3,(H,27,28).
What are the key properties of 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine?
6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine has a molecular weight of 386.46 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]-N-piperidin-4-ylpyridin-2-amine is sourced from PubChem (CID 72715698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).