3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

C22H23FN4O — CID 69450108

IUPAC3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(N3CCCC3)cccc12
InChIInChI=1S/C22H23FN4O/c1-25(2)15-12-19(28)21-18-6-5-7-20(26-13-3-4-14-26)27(18)24-22(21)16-8-10-17(23)11-9-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyCAVUKHNKANLRIS-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.00
Rot. Bonds5

About 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one

3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 69450108) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID69450108
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(N3CCCC3)cccc12
InChIInChI=1S/C22H23FN4O/c1-25(2)15-12-19(28)21-18-6-5-7-20(26-13-3-4-14-26)27(18)24-22(21)16-8-10-17(23)11-9-16/h5-12,15H,3-4,13-14H2,1-2H3
InChIKeyCAVUKHNKANLRIS-UHFFFAOYSA-N
XLogP4.00
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The IUPAC name of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (CID 69450108) is 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The canonical SMILES for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is CN(C)C=CC(=O)c1c(-c2ccc(F)cc2)nn2c(N3CCCC3)cccc12.
What is the InChIKey of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
The InChIKey is CAVUKHNKANLRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O/c1-25(2)15-12-19(28)21-18-6-5-7-20(26-13-3-4-14-26)27(18)24-22(21)16-8-10-17(23)11-9-16/h5-12,15H,3-4,13-14H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one has a molecular weight of 378.45 g/mol, XLogP of 4.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one is sourced from PubChem (CID 69450108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).