2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile

C22H21N9 — CID 86707096

IUPAC2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C#N)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
InChIKeyOSJCCDKQCYGFSD-KRWDZBQOSA-N
MW411.47 g/mol
LogP2.38
Rot. Bonds3

About 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile

2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile (PubChem CID 86707096) has the molecular formula C22H21N9 and a molecular weight of 411.47 g/mol. Its IUPAC name is 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile
PubChem CID86707096
Molecular FormulaC22H21N9
Molecular Weight411.47 g/mol
Exact Mass411.19
IUPAC Name2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile
SMILESCc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C#N)c(N3CCC[C@H](N)C3)n2)n1
InChIInChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1
InChIKeyOSJCCDKQCYGFSD-KRWDZBQOSA-N
XLogP2.38
TPSA122.43 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile (CID 86707096) is 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile is Cc1cncc(-c2cc3c(cn2)cnn3-c2ccc(C#N)c(N3CCC[C@H](N)C3)n2)n1.
What is the InChIKey of 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OSJCCDKQCYGFSD-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H21N9/c1-14-9-25-12-19(28-14)18-7-20-16(10-26-18)11-27-31(20)21-5-4-15(8-23)22(29-21)30-6-2-3-17(24)13-30/h4-5,7,9-12,17H,2-3,6,13,24H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile?
2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile has a molecular weight of 411.47 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-aminopiperidin-1-yl]-6-[6-(6-methylpyrazin-2-yl)pyrazolo[4,3-c]pyridin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 86707096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).