3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

C20H23FN4O — CID 10247561

IUPAC3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESFCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C20H23FN4O/c21-8-14-26-19-6-4-18(5-7-19)24-12-10-23(11-13-24)16-17-15-22-25-9-2-1-3-20(17)25/h1-7,9,15H,8,10-14,16H2
InChIKeyDCOWEWUTRNVNCR-UHFFFAOYSA-N
MW354.43 g/mol
LogP3.00
Rot. Bonds6

About 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine

3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (PubChem CID 10247561) has the molecular formula C20H23FN4O and a molecular weight of 354.43 g/mol. Its IUPAC name is 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
PubChem CID10247561
Molecular FormulaC20H23FN4O
Molecular Weight354.43 g/mol
Exact Mass354.19
IUPAC Name3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
SMILESFCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1
InChIInChI=1S/C20H23FN4O/c21-8-14-26-19-6-4-18(5-7-19)24-12-10-23(11-13-24)16-17-15-22-25-9-2-1-3-20(17)25/h1-7,9,15H,8,10-14,16H2
InChIKeyDCOWEWUTRNVNCR-UHFFFAOYSA-N
XLogP3.00
TPSA33.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 25072002
6-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072633
(NE)-N-[[5-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 25093832
Jnj-42259152
CID 51353528
5-{5-[(2S)-2-amino-3-phenylpropoxy]pyridin-3-yl}-3-methyl-6-oxido-1H-pyrazolo[3,4-c]pyridin-6-ium
CID 23647439
1-Methyl-4-(4-{4-[3-(2-Methylpropoxy)pyridin-4-Yl]-1h-Pyrazol-1-Yl}phenyl)piperazine
CID 119058125
6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine
CID 155817682
US10034861, Example 165
CID 132273284
3-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24823922
2-[[4-[2-(2-Fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine
CID 24824062
(NE)-N-[[6-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
CID 137633863
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile
CID 137651073

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The IUPAC name of 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine (CID 10247561) is 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is FCCOc1ccc(N2CCN(Cc3cnn4ccccc34)CC2)cc1.
What is the InChIKey of 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
The InChIKey is DCOWEWUTRNVNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O/c21-8-14-26-19-6-4-18(5-7-19)24-12-10-23(11-13-24)16-17-15-22-25-9-2-1-3-20(17)25/h1-7,9,15H,8,10-14,16H2.
What are the key properties of 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine?
3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine has a molecular weight of 354.43 g/mol, XLogP of 3.00, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(2-fluoroethoxy)phenyl]piperazin-1-yl]methyl]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 10247561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).