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

C22H23FN4O — CID 69450105

IUPAC(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=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/b15-12+
InChIKeyCAVUKHNKANLRIS-NTCAYCPXSA-N
MW378.45 g/mol
LogP4.00
Rot. Bonds5

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

(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (PubChem CID 69450105) has the molecular formula C22H23FN4O and a molecular weight of 378.45 g/mol. Its IUPAC name is (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
PubChem CID69450105
Molecular FormulaC22H23FN4O
Molecular Weight378.45 g/mol
Exact Mass378.19
IUPAC Name(E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one
SMILESCN(C)/C=C/C(=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/b15-12+
InChIKeyCAVUKHNKANLRIS-NTCAYCPXSA-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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Related Compounds

CID 189892
CID 189892
CID 455582
CID 455582
CID 455583
CID 455583
CID 455585
CID 455585
CID 455588
CID 455588
CID 455591
CID 455591
CID 455592
CID 455592
CID 455593
CID 455593
CID 44452706
CID 44452706
CID 455584
CID 455584
CID 455586
CID 455586
CID 455590
CID 455590

Frequently Asked Questions

What is the IUPAC name of (E)-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 (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one (CID 69450105) is (E)-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 (E)-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 (E)-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=C/C(=O)c1c(-c2ccc(F)cc2)nn2c(N3CCCC3)cccc12.
What is the InChIKey of (E)-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-NTCAYCPXSA-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/b15-12+.
What are the key properties of (E)-3-(dimethylamino)-1-[2-(4-fluorophenyl)-7-pyrrolidin-1-ylpyrazolo[1,5-a]pyridin-3-yl]prop-2-en-1-one?
(E)-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 (E)-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 69450105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).