[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

C15H20N4O2 — CID 95713243

IUPAC[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCN(C)C[C@]1(O)CCN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C15H20N4O2/c1-17(2)10-15(21)6-8-18(11-15)14(20)12-9-16-19-7-4-3-5-13(12)19/h3-5,7,9,21H,6,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyOGKVVDACXXXHSX-OAHLLOKOSA-N
MW288.35 g/mol
LogP0.47
Rot. Bonds3

About [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone

[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (PubChem CID 95713243) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
PubChem CID95713243
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone
SMILESCN(C)C[C@]1(O)CCN(C(=O)c2cnn3ccccc23)C1
InChIInChI=1S/C15H20N4O2/c1-17(2)10-15(21)6-8-18(11-15)14(20)12-9-16-19-7-4-3-5-13(12)19/h3-5,7,9,21H,6,8,10-11H2,1-2H3/t15-/m1/s1
InChIKeyOGKVVDACXXXHSX-OAHLLOKOSA-N
XLogP0.47
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The IUPAC name of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone (CID 95713243) is [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone.
What is the SMILES notation for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The canonical SMILES for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is CN(C)C[C@]1(O)CCN(C(=O)c2cnn3ccccc23)C1.
What is the InChIKey of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
The InChIKey is OGKVVDACXXXHSX-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-17(2)10-15(21)6-8-18(11-15)14(20)12-9-16-19-7-4-3-5-13(12)19/h3-5,7,9,21H,6,8,10-11H2,1-2H3/t15-/m1/s1.
What are the key properties of [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone?
[(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone has a molecular weight of 288.35 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[(dimethylamino)methyl]-3-hydroxypyrrolidin-1-yl]-pyrazolo[1,5-a]pyridin-3-ylmethanone is sourced from PubChem (CID 95713243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).