1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea

C23H29ClN6O2 — CID 69241048

IUPAC1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
SMILESCOc1ccccc1N1CCN(CCCCN(C(N)=O)c2nn3ccccc3c2Cl)CC1
InChIInChI=1S/C23H29ClN6O2/c1-32-20-10-3-2-8-18(20)28-16-14-27(15-17-28)11-6-7-12-29(23(25)31)22-21(24)19-9-4-5-13-30(19)26-22/h2-5,8-10,13H,6-7,11-12,14-17H2,1H3,(H2,25,31)
InChIKeyQMKOHVLYBKLVMK-UHFFFAOYSA-N
MW456.98 g/mol
LogP3.48
Rot. Bonds8

About 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea

1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea (PubChem CID 69241048) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea.

Molecular Properties

Compound Name1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
PubChem CID69241048
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
SMILESCOc1ccccc1N1CCN(CCCCN(C(N)=O)c2nn3ccccc3c2Cl)CC1
InChIInChI=1S/C23H29ClN6O2/c1-32-20-10-3-2-8-18(20)28-16-14-27(15-17-28)11-6-7-12-29(23(25)31)22-21(24)19-9-4-5-13-30(19)26-22/h2-5,8-10,13H,6-7,11-12,14-17H2,1H3,(H2,25,31)
InChIKeyQMKOHVLYBKLVMK-UHFFFAOYSA-N
XLogP3.48
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.98
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxyphenyl)-4-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)methyl)piperazine
CID 44412482
1-{4-[1-(3-Chlorophenyl)pyrazolo[4,5-e]pyrimidin-4-yl]piperazinyl}-2-methoxybe nzene
CID 16033917
N-(2-methoxyphenyl)-4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazine-1-carboxamide
CID 5308707
6-Chloro-2-[4-(2-methoxyphenyl)piperazin-1-ylmethyl]imidazo[1,2-b]pyridazine
CID 11581237
2-((4-(2-methoxyphenyl)piperazin-1-yl)methyl)H-pyrazolo[1,5-a]pyridine
CID 45273045
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pyrazolo[1,5-a]pyridin-5-ylbutanamide
CID 137636460
[4-[5-(3,5-dichloro-2-pyridinyl)-2-(2-fluoro-6-methoxyphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2,5-difluorophenyl]urea
CID 139296863
N-[2-(2-methoxyanilino)-2-oxoethyl]-5-methyl-N-propyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 4842309
4-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)-N-(5-chloro-2-methoxyphenyl)piperazine-1-carboxamide
CID 44070738
N-(2,5-dimethoxyphenyl)-2-(1-methyl-1H-pyrrol-2-yl)-4H,5H,6H,7H-pyrazolo[1,5-a]pyrimidine-4-carboxamide
CID 46282368
2-N-(5-chloro-2-methoxyphenyl)-7-N-(2,2-difluoro-2-pyridin-2-ylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine
CID 10138502
1-(6-Fluoropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea
CID 69236979

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The IUPAC name of 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea (CID 69241048) is 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea.
What is the SMILES notation for 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The canonical SMILES for 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea is COc1ccccc1N1CCN(CCCCN(C(N)=O)c2nn3ccccc3c2Cl)CC1.
What is the InChIKey of 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The InChIKey is QMKOHVLYBKLVMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-32-20-10-3-2-8-18(20)28-16-14-27(15-17-28)11-6-7-12-29(23(25)31)22-21(24)19-9-4-5-13-30(19)26-22/h2-5,8-10,13H,6-7,11-12,14-17H2,1H3,(H2,25,31).
What are the key properties of 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea has a molecular weight of 456.98 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea is sourced from PubChem (CID 69241048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).