1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea

C24H32N6O3 — CID 69238758

IUPAC1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea
SMILESCOc1ccc(N2CCN(CCCCN(C(N)=O)c3cc4ccccn4n3)CC2)c(OC)c1
InChIInChI=1S/C24H32N6O3/c1-32-20-8-9-21(22(18-20)33-2)28-15-13-27(14-16-28)10-5-6-11-29(24(25)31)23-17-19-7-3-4-12-30(19)26-23/h3-4,7-9,12,17-18H,5-6,10-11,13-16H2,1-2H3,(H2,25,31)
InChIKeyLFQUVDWLEMXYKD-UHFFFAOYSA-N
MW452.56 g/mol
LogP2.84
Rot. Bonds9

About 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea

1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea (PubChem CID 69238758) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea.

Molecular Properties

Compound Name1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea
PubChem CID69238758
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea
SMILESCOc1ccc(N2CCN(CCCCN(C(N)=O)c3cc4ccccn4n3)CC2)c(OC)c1
InChIInChI=1S/C24H32N6O3/c1-32-20-8-9-21(22(18-20)33-2)28-15-13-27(14-16-28)10-5-6-11-29(24(25)31)23-17-19-7-3-4-12-30(19)26-23/h3-4,7-9,12,17-18H,5-6,10-11,13-16H2,1-2H3,(H2,25,31)
InChIKeyLFQUVDWLEMXYKD-UHFFFAOYSA-N
XLogP2.84
TPSA88.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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N-[2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]ethyl]-N-[2-(trifluoromethoxy)phenyl]cyclohexanecarboxamide
CID 70145702
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CID 42389638
3-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 10849160
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
CID 59840227
3-amino-1-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propan-1-one
CID 4740951
3-[4-(2-methoxy-4-phenylmethoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21473441
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
2-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone;ethane
CID 143404168
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
[4-(2,4-dimethoxyphenyl)piperazin-1-yl]-(2-methoxyphenyl)methanone
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea?
The IUPAC name of 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea (CID 69238758) is 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea.
What is the SMILES notation for 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea?
The canonical SMILES for 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea is COc1ccc(N2CCN(CCCCN(C(N)=O)c3cc4ccccn4n3)CC2)c(OC)c1.
What is the InChIKey of 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea?
The InChIKey is LFQUVDWLEMXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-32-20-8-9-21(22(18-20)33-2)28-15-13-27(14-16-28)10-5-6-11-29(24(25)31)23-17-19-7-3-4-12-30(19)26-23/h3-4,7-9,12,17-18H,5-6,10-11,13-16H2,1-2H3,(H2,25,31).
What are the key properties of 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea?
1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea has a molecular weight of 452.56 g/mol, XLogP of 2.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-1-pyrazolo[1,5-a]pyridin-2-ylurea is sourced from PubChem (CID 69238758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).