3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one

C22H24N8O — CID 86707133

IUPAC3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cc(N3CCC[C@H](N)C3)c(=O)n(C)c2)n1
InChIInChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-15(9-25-18)10-26-30(20)17-6-21(22(31)28(2)13-17)29-5-3-4-16(23)12-29/h6-11,13,16H,3-5,12,23H2,1-2H3/t16-/m0/s1
InChIKeyUKRBSFMZVQRMFR-INIZCTEOSA-N
MW416.49 g/mol
LogP1.81
Rot. Bonds3

About 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one

3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one (PubChem CID 86707133) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one
PubChem CID86707133
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2cc(N3CCC[C@H](N)C3)c(=O)n(C)c2)n1
InChIInChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-15(9-25-18)10-26-30(20)17-6-21(22(31)28(2)13-17)29-5-3-4-16(23)12-29/h6-11,13,16H,3-5,12,23H2,1-2H3/t16-/m0/s1
InChIKeyUKRBSFMZVQRMFR-INIZCTEOSA-N
XLogP1.81
TPSA107.75 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one?
The IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one (CID 86707133) is 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one.
What is the SMILES notation for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one?
The canonical SMILES for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one is Cc1cncc(-c2cc3c(cn2)cnn3-c2cc(N3CCC[C@H](N)C3)c(=O)n(C)c2)n1.
What is the InChIKey of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one?
The InChIKey is UKRBSFMZVQRMFR-INIZCTEOSA-N. The full InChI is InChI=1S/C22H24N8O/c1-14-8-24-11-19(27-14)18-7-20-15(9-25-18)10-26-30(20)17-6-21(22(31)28(2)13-17)29-5-3-4-16(23)12-29/h6-11,13,16H,3-5,12,23H2,1-2H3/t16-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one?
3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one has a molecular weight of 416.49 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridin-2-one is sourced from PubChem (CID 86707133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).