4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

C31H35ClN6O3 — CID 123136908

IUPAC4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)Oc3cc(-c4ccc(N5CCNCC5)cn4)cn4ncc(Cl)c34)CC2=O)cc1
InChIInChI=1S/C31H35ClN6O3/c1-20(22-4-7-26(40-3)8-5-22)37-18-23(15-30(37)39)21(2)41-29-14-24(19-38-31(29)27(32)17-35-38)28-9-6-25(16-34-28)36-12-10-33-11-13-36/h4-9,14,16-17,19-21,23,33H,10-13,15,18H2,1-3H3
InChIKeyPDULZDKAHIJEAK-UHFFFAOYSA-N
MW575.11 g/mol
LogP4.84
Rot. Bonds8

About 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one

4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (PubChem CID 123136908) has the molecular formula C31H35ClN6O3 and a molecular weight of 575.11 g/mol. Its IUPAC name is 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
PubChem CID123136908
Molecular FormulaC31H35ClN6O3
Molecular Weight575.11 g/mol
Exact Mass574.25
IUPAC Name4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C(C)N2CC(C(C)Oc3cc(-c4ccc(N5CCNCC5)cn4)cn4ncc(Cl)c34)CC2=O)cc1
InChIInChI=1S/C31H35ClN6O3/c1-20(22-4-7-26(40-3)8-5-22)37-18-23(15-30(37)39)21(2)41-29-14-24(19-38-31(29)27(32)17-35-38)28-9-6-25(16-34-28)36-12-10-33-11-13-36/h4-9,14,16-17,19-21,23,33H,10-13,15,18H2,1-3H3
InChIKeyPDULZDKAHIJEAK-UHFFFAOYSA-N
XLogP4.84
TPSA84.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500575.11
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one with MolForge

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Related Compounds

1-[2-(8-chloro-3-methylpyrazolo[4,5-f]quinolin-9-yl)ethyl]-N-(2,3-dihydrofuro[2,3-c]pyridin-5-ylmethyl)piperidin-4-amine;hydrochloride
CID 44529511
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US10512632, Example 172
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Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one (CID 123136908) is 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C(C)N2CC(C(C)Oc3cc(-c4ccc(N5CCNCC5)cn4)cn4ncc(Cl)c34)CC2=O)cc1.
What is the InChIKey of 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is PDULZDKAHIJEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35ClN6O3/c1-20(22-4-7-26(40-3)8-5-22)37-18-23(15-30(37)39)21(2)41-29-14-24(19-38-31(29)27(32)17-35-38)28-9-6-25(16-34-28)36-12-10-33-11-13-36/h4-9,14,16-17,19-21,23,33H,10-13,15,18H2,1-3H3.
What are the key properties of 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one?
4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 575.11 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-chloro-6-(5-piperazin-1-yl-2-pyridinyl)pyrazolo[1,5-a]pyridin-4-yl]oxyethyl]-1-[1-(4-methoxyphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 123136908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).