[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone

C22H23N7O2 — CID 121439373

IUPAC[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccc3ncn(C)c23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H23N7O2/c1-15-7-8-16(31-21-20-18(9-10-23-21)24-14-27(20)2)13-28(15)22(30)17-5-3-4-6-19(17)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyDDJYMJOBUIQBMK-HZPDHXFCSA-N
MW417.47 g/mol
LogP2.62
Rot. Bonds4

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

[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (PubChem CID 121439373) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
PubChem CID121439373
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
SMILESC[C@@H]1CC[C@@H](Oc2nccc3ncn(C)c23)CN1C(=O)c1ccccc1-n1nccn1
InChIInChI=1S/C22H23N7O2/c1-15-7-8-16(31-21-20-18(9-10-23-21)24-14-27(20)2)13-28(15)22(30)17-5-3-4-6-19(17)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3/t15-,16-/m1/s1
InChIKeyDDJYMJOBUIQBMK-HZPDHXFCSA-N
XLogP2.62
TPSA90.96 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The IUPAC name of [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone (CID 121439373) is [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone.
What is the SMILES notation for [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The canonical SMILES for [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is C[C@@H]1CC[C@@H](Oc2nccc3ncn(C)c23)CN1C(=O)c1ccccc1-n1nccn1.
What is the InChIKey of [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
The InChIKey is DDJYMJOBUIQBMK-HZPDHXFCSA-N. The full InChI is InChI=1S/C22H23N7O2/c1-15-7-8-16(31-21-20-18(9-10-23-21)24-14-27(20)2)13-28(15)22(30)17-5-3-4-6-19(17)29-25-11-12-26-29/h3-6,9-12,14-16H,7-8,13H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone?
[(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone has a molecular weight of 417.47 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5R)-2-methyl-5-(3-methylimidazo[4,5-c]pyridin-4-yl)oxypiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone is sourced from PubChem (CID 121439373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).