5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile

C22H23Cl2N5O — CID 90644230

IUPAC5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESN#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1
InChIInChI=1S/C22H23Cl2N5O/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-30-19-6-8-29-18(15-19)14-17(16-25)26-29/h3-6,8,14-15H,1-2,7,9-13H2
InChIKeyTXMVXDBYJCUQJD-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.49
Rot. Bonds7

About 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile

5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile (PubChem CID 90644230) has the molecular formula C22H23Cl2N5O and a molecular weight of 444.37 g/mol. Its IUPAC name is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile
PubChem CID90644230
Molecular FormulaC22H23Cl2N5O
Molecular Weight444.37 g/mol
Exact Mass443.13
IUPAC Name5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile
SMILESN#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1
InChIInChI=1S/C22H23Cl2N5O/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-30-19-6-8-29-18(15-19)14-17(16-25)26-29/h3-6,8,14-15H,1-2,7,9-13H2
InChIKeyTXMVXDBYJCUQJD-UHFFFAOYSA-N
XLogP4.49
TPSA56.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

s-trans isomer of (E)-5-(4-(4-(2,3-dichlorophenyl)piperazin-1-yl)butoxy)pyrazolo[1,5-a]pyridine-3-carbaldehyde oxime
CID 25071691
5-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 25071692
(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methylidene]hydroxylamine
CID 136056636
5-[4-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile
CID 137651073
2-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]pyrazolo[1,5-a]pyridine
CID 25070419
4-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25070740
5-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine
CID 25071066
6-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072632
7-[4-[4-(2,3-Dichlorophenyl)-1-piperazinyl]butoxy]pyrazolo[1,5-a]pyridine
CID 25072943
Ethyl 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carboxylate
CID 90644226
[5-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
5-[4-[4-(2,3-Dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbaldehyde
CID 90644228

Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile?
The IUPAC name of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile (CID 90644230) is 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile?
The canonical SMILES for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile is N#Cc1cc2cc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)ccn2n1.
What is the InChIKey of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile?
The InChIKey is TXMVXDBYJCUQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23Cl2N5O/c23-20-4-3-5-21(22(20)24)28-11-9-27(10-12-28)7-1-2-13-30-19-6-8-29-18(15-19)14-17(16-25)26-29/h3-6,8,14-15H,1-2,7,9-13H2.
What are the key properties of 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile?
5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile has a molecular weight of 444.37 g/mol, XLogP of 4.49, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridine-2-carbonitrile is sourced from PubChem (CID 90644230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).