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

C20H23N9O — CID 72714672

IUPAC3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C20H23N9O/c1-26-12-18(25-19(20(26)30)28-5-3-4-15(21)11-28)29-17-6-16(14-9-23-27(2)10-14)22-7-13(17)8-24-29/h6-10,12,15H,3-5,11,21H2,1-2H3/t15-/m0/s1
InChIKeyOQAGQAIPXINVCL-HNNXBMFYSA-N
MW405.47 g/mol
LogP0.84
Rot. Bonds3

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

3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one (PubChem CID 72714672) has the molecular formula C20H23N9O and a molecular weight of 405.47 g/mol. Its IUPAC name is 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one.

Molecular Properties

Compound Name3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one
PubChem CID72714672
Molecular FormulaC20H23N9O
Molecular Weight405.47 g/mol
Exact Mass405.20
IUPAC Name3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one
SMILESCn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@H](N)C3)n2)cn1
InChIInChI=1S/C20H23N9O/c1-26-12-18(25-19(20(26)30)28-5-3-4-15(21)11-28)29-17-6-16(14-9-23-27(2)10-14)22-7-13(17)8-24-29/h6-10,12,15H,3-5,11,21H2,1-2H3/t15-/m0/s1
InChIKeyOQAGQAIPXINVCL-HNNXBMFYSA-N
XLogP0.84
TPSA112.68 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one?
The IUPAC name of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one (CID 72714672) is 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one.
What is the SMILES notation for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one?
The canonical SMILES for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one is Cn1cc(-c2cc3c(cn2)cnn3-c2cn(C)c(=O)c(N3CCC[C@H](N)C3)n2)cn1.
What is the InChIKey of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one?
The InChIKey is OQAGQAIPXINVCL-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H23N9O/c1-26-12-18(25-19(20(26)30)28-5-3-4-15(21)11-28)29-17-6-16(14-9-23-27(2)10-14)22-7-13(17)8-24-29/h6-10,12,15H,3-5,11,21H2,1-2H3/t15-/m0/s1.
What are the key properties of 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one?
3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one has a molecular weight of 405.47 g/mol, XLogP of 0.84, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3S)-3-aminopiperidin-1-yl]-1-methyl-5-[6-(1-methylpyrazol-4-yl)pyrazolo[4,3-c]pyridin-1-yl]pyrazin-2-one is sourced from PubChem (CID 72714672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).