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

C24H31ClN6O2 — CID 69240029

IUPAC1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea
SMILESCOc1ccccc1N1CCN(CCCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C24H31ClN6O2/c1-33-22-8-4-3-7-21(22)29-15-13-28(14-16-29)11-5-2-6-12-30(24(26)32)23-17-20-10-9-19(25)18-31(20)27-23/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H2,26,32)
InChIKeyMLUMHXWEYDOXSO-UHFFFAOYSA-N
MW471.01 g/mol
LogP3.87
Rot. Bonds9

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

1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea (PubChem CID 69240029) has the molecular formula C24H31ClN6O2 and a molecular weight of 471.01 g/mol. Its IUPAC name is 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea.

Molecular Properties

Compound Name1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea
PubChem CID69240029
Molecular FormulaC24H31ClN6O2
Molecular Weight471.01 g/mol
Exact Mass470.22
IUPAC Name1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea
SMILESCOc1ccccc1N1CCN(CCCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C24H31ClN6O2/c1-33-22-8-4-3-7-21(22)29-15-13-28(14-16-29)11-5-2-6-12-30(24(26)32)23-17-20-10-9-19(25)18-31(20)27-23/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H2,26,32)
InChIKeyMLUMHXWEYDOXSO-UHFFFAOYSA-N
XLogP3.87
TPSA79.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.01
LogP ≤ 53.87
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-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea?
The IUPAC name of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea (CID 69240029) is 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea.
What is the SMILES notation for 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea?
The canonical SMILES for 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea is COc1ccccc1N1CCN(CCCCCN(C(N)=O)c2cc3ccc(Cl)cn3n2)CC1.
What is the InChIKey of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea?
The InChIKey is MLUMHXWEYDOXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31ClN6O2/c1-33-22-8-4-3-7-21(22)29-15-13-28(14-16-29)11-5-2-6-12-30(24(26)32)23-17-20-10-9-19(25)18-31(20)27-23/h3-4,7-10,17-18H,2,5-6,11-16H2,1H3,(H2,26,32).
What are the key properties of 1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea?
1-(6-chloropyrazolo[1,5-a]pyridin-2-yl)-1-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea has a molecular weight of 471.01 g/mol, XLogP of 3.87, 9 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-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]urea is sourced from PubChem (CID 69240029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).