[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H24N8O — CID 121439842

IUPAC[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Nc2nccc3nn(C)cc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H24N8O/c1-15-7-8-16(26-21-18-14-28(2)27-19(18)9-10-23-21)13-29(15)22(31)17-5-3-4-6-20(17)30-24-11-12-25-30/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyAHARNFMCBZDTFA-HZPDHXFCSA-N
MW416.49 g/mol
LogP2.65
Rot. Bonds4

About [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 121439842) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID121439842
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Nc2nccc3nn(C)cc23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H24N8O/c1-15-7-8-16(26-21-18-14-28(2)27-19(18)9-10-23-21)13-29(15)22(31)17-5-3-4-6-20(17)30-24-11-12-25-30/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,23,26)/t15-,16-/m1/s1
InChIKeyAHARNFMCBZDTFA-HZPDHXFCSA-N
XLogP2.65
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 121439842) is [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Nc2nccc3nn(C)cc23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is AHARNFMCBZDTFA-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H24N8O/c1-15-7-8-16(26-21-18-14-28(2)27-19(18)9-10-23-21)13-29(15)22(31)17-5-3-4-6-20(17)30-24-11-12-25-30/h3-6,9-12,14-16H,7-8,13H2,1-2H3,(H,23,26)/t15-,16-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 416.49 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-[(2-methylpyrazolo[4,3-c]pyridin-4-yl)amino]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 121439842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).