3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

C20H23N3O — CID 157265531

IUPAC3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
SMILESCc1ccn2nc(C)c(C(=O)CCc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H23N3O/c1-14-11-12-23-18(13-14)20(15(2)21-23)19(24)10-7-16-5-8-17(9-6-16)22(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyAXYHZIHQXHJCJA-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.83
Rot. Bonds5

About 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one

3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (PubChem CID 157265531) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.

Molecular Properties

Compound Name3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
PubChem CID157265531
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
SMILESCc1ccn2nc(C)c(C(=O)CCc3ccc(N(C)C)cc3)c2c1
InChIInChI=1S/C20H23N3O/c1-14-11-12-23-18(13-14)20(15(2)21-23)19(24)10-7-16-5-8-17(9-6-16)22(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3
InChIKeyAXYHZIHQXHJCJA-UHFFFAOYSA-N
XLogP3.83
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The IUPAC name of 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one (CID 157265531) is 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one.
What is the SMILES notation for 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The canonical SMILES for 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is Cc1ccn2nc(C)c(C(=O)CCc3ccc(N(C)C)cc3)c2c1.
What is the InChIKey of 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
The InChIKey is AXYHZIHQXHJCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-11-12-23-18(13-14)20(15(2)21-23)19(24)10-7-16-5-8-17(9-6-16)22(3)4/h5-6,8-9,11-13H,7,10H2,1-4H3.
What are the key properties of 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one?
3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one has a molecular weight of 321.42 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(dimethylamino)phenyl]-1-(2,5-dimethylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one is sourced from PubChem (CID 157265531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).