1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea

C23H29ClN6O2 — CID 69240841

IUPAC1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
SMILESCOc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C23H29ClN6O2/c1-32-21-7-3-2-6-20(21)28-14-12-27(13-15-28)10-4-5-11-29(23(25)31)22-16-19-9-8-18(24)17-30(19)26-22/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H2,25,31)
InChIKeyXGPPMZALBQMQSI-UHFFFAOYSA-N
MW456.98 g/mol
LogP3.48
Rot. Bonds8

About 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea

1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea (PubChem CID 69240841) has the molecular formula C23H29ClN6O2 and a molecular weight of 456.98 g/mol. Its IUPAC name is 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea.

Molecular Properties

Compound Name1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
PubChem CID69240841
Molecular FormulaC23H29ClN6O2
Molecular Weight456.98 g/mol
Exact Mass456.20
IUPAC Name1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea
SMILESCOc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C23H29ClN6O2/c1-32-21-7-3-2-6-20(21)28-14-12-27(13-15-28)10-4-5-11-29(23(25)31)22-16-19-9-8-18(24)17-30(19)26-22/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H2,25,31)
InChIKeyXGPPMZALBQMQSI-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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Frequently Asked Questions

What is the IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea (CID 69240841) is 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea.
What is the SMILES notation for 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The canonical SMILES for 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea is COc1ccccc1N1CCN(CCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1.
What is the InChIKey of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
The InChIKey is XGPPMZALBQMQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O2/c1-32-21-7-3-2-6-20(21)28-14-12-27(13-15-28)10-4-5-11-29(23(25)31)22-16-19-9-8-18(24)17-30(19)26-22/h2-3,6-9,16-17H,4-5,10-15H2,1H3,(H2,25,31).
What are the key properties of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea?
1-(6-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-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]urea is sourced from PubChem (CID 69240841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).