(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine

C22H25Cl2N5O2 — CID 25071691

IUPAC(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIInChI=1S/C22H25Cl2N5O2/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-31-18-6-8-29-21(14-18)17(15-25-29)16-26-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b26-16+
InChIKeyDWMNREQVNSYYID-WGOQTCKBSA-N
MW462.38 g/mol
LogP4.43
Rot. Bonds8

About (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine

(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine (PubChem CID 25071691) has the molecular formula C22H25Cl2N5O2 and a molecular weight of 462.38 g/mol. Its IUPAC name is (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine.

Molecular Properties

Compound Name(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
PubChem CID25071691
Molecular FormulaC22H25Cl2N5O2
Molecular Weight462.38 g/mol
Exact Mass461.14
IUPAC Name(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine
SMILESO/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12
InChIInChI=1S/C22H25Cl2N5O2/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-31-18-6-8-29-21(14-18)17(15-25-29)16-26-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b26-16+
InChIKeyDWMNREQVNSYYID-WGOQTCKBSA-N
XLogP4.43
TPSA65.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine?
The IUPAC name of (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine (CID 25071691) is (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine.
What is the SMILES notation for (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine?
The canonical SMILES for (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine is O/N=C/c1cnn2ccc(OCCCCN3CCN(c4cccc(Cl)c4Cl)CC3)cc12.
What is the InChIKey of (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine?
The InChIKey is DWMNREQVNSYYID-WGOQTCKBSA-N. The full InChI is InChI=1S/C22H25Cl2N5O2/c23-19-4-3-5-20(22(19)24)28-11-9-27(10-12-28)7-1-2-13-31-18-6-8-29-21(14-18)17(15-25-29)16-26-30/h3-6,8,14-16,30H,1-2,7,9-13H2/b26-16+.
What are the key properties of (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine?
(NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine has a molecular weight of 462.38 g/mol, XLogP of 4.43, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-3-yl]methylidene]hydroxylamine is sourced from PubChem (CID 25071691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).