1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea

C23H28Cl2N6O — CID 69240440

IUPAC1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea
SMILESNC(=O)N(CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn2nccc2c1
InChIInChI=1S/C23H28Cl2N6O/c24-20-5-4-6-21(22(20)25)29-15-13-28(14-16-29)10-2-1-3-11-30(23(26)32)18-8-12-31-19(17-18)7-9-27-31/h4-9,12,17H,1-3,10-11,13-16H2,(H2,26,32)
InChIKeySVGFMDLESCTKSV-UHFFFAOYSA-N
MW475.42 g/mol
LogP4.52
Rot. Bonds8

About 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea

1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea (PubChem CID 69240440) has the molecular formula C23H28Cl2N6O and a molecular weight of 475.42 g/mol. Its IUPAC name is 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea.

Molecular Properties

Compound Name1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea
PubChem CID69240440
Molecular FormulaC23H28Cl2N6O
Molecular Weight475.42 g/mol
Exact Mass474.17
IUPAC Name1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea
SMILESNC(=O)N(CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn2nccc2c1
InChIInChI=1S/C23H28Cl2N6O/c24-20-5-4-6-21(22(20)25)29-15-13-28(14-16-29)10-2-1-3-11-30(23(26)32)18-8-12-31-19(17-18)7-9-27-31/h4-9,12,17H,1-3,10-11,13-16H2,(H2,26,32)
InChIKeySVGFMDLESCTKSV-UHFFFAOYSA-N
XLogP4.52
TPSA70.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.42
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]-1-([1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
CID 69239250
1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-1-pyrazolo[1,5-a]pyridin-3-ylurea
CID 69238362
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]pyrazolo[1,5-a]pyridine-5-carboxamide
CID 11618583
1-(5-bromo-1-benzofuran-2-yl)-1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]urea
CID 69465676
1-[4-[4-(3-chloro-2-methoxyphenyl)piperazin-1-yl]butyl]-1-indolizin-2-ylurea
CID 141135456
1-(2,3-dichlorophenyl)-4-hexylpiperazine
CID 155107965
1-butyl-4-(2,3-dichlorophenyl)piperazine
CID 58358826
[5-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]pyrazolo[1,5-a]pyridin-2-yl]methanol
CID 90644227
N-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 11662289
1-[3-[4-(2,3-dichlorophenyl)piperazin-1-yl]propyl]-2-methyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 68572857
1-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butyl]pyrrolo[2,3-b]pyridine
CID 142689415
N-[2-[4-(2,3-dichlorophenyl)piperazin-1-yl]ethyl]acetamide
CID 59671452

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea?
The IUPAC name of 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea (CID 69240440) is 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea.
What is the SMILES notation for 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea?
The canonical SMILES for 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea is NC(=O)N(CCCCCN1CCN(c2cccc(Cl)c2Cl)CC1)c1ccn2nccc2c1.
What is the InChIKey of 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea?
The InChIKey is SVGFMDLESCTKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28Cl2N6O/c24-20-5-4-6-21(22(20)25)29-15-13-28(14-16-29)10-2-1-3-11-30(23(26)32)18-8-12-31-19(17-18)7-9-27-31/h4-9,12,17H,1-3,10-11,13-16H2,(H2,26,32).
What are the key properties of 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea?
1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea has a molecular weight of 475.42 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(2,3-dichlorophenyl)piperazin-1-yl]pentyl]-1-pyrazolo[1,5-a]pyridin-5-ylurea is sourced from PubChem (CID 69240440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).