2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone

C24H30N6O4 — CID 143254060

IUPAC2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc3[nH]nc(N4CCN(CC(=O)N5CCOCC5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H30N6O4/c1-32-20-6-3-17(15-21(20)33-2)18-4-5-19-23(25-18)24(27-26-19)30-9-7-28(8-10-30)16-22(31)29-11-13-34-14-12-29/h3-6,15H,7-14,16H2,1-2H3,(H,26,27)
InChIKeyNULIQXSNJZYYGM-UHFFFAOYSA-N
MW466.54 g/mol
LogP1.62
Rot. Bonds6

About 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone

2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (PubChem CID 143254060) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
PubChem CID143254060
Molecular FormulaC24H30N6O4
Molecular Weight466.54 g/mol
Exact Mass466.23
IUPAC Name2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone
SMILESCOc1ccc(-c2ccc3[nH]nc(N4CCN(CC(=O)N5CCOCC5)CC4)c3n2)cc1OC
InChIInChI=1S/C24H30N6O4/c1-32-20-6-3-17(15-21(20)33-2)18-4-5-19-23(25-18)24(27-26-19)30-9-7-28(8-10-30)16-22(31)29-11-13-34-14-12-29/h3-6,15H,7-14,16H2,1-2H3,(H,26,27)
InChIKeyNULIQXSNJZYYGM-UHFFFAOYSA-N
XLogP1.62
TPSA96.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone (CID 143254060) is 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is COc1ccc(-c2ccc3[nH]nc(N4CCN(CC(=O)N5CCOCC5)CC4)c3n2)cc1OC.
What is the InChIKey of 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
The InChIKey is NULIQXSNJZYYGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-32-20-6-3-17(15-21(20)33-2)18-4-5-19-23(25-18)24(27-26-19)30-9-7-28(8-10-30)16-22(31)29-11-13-34-14-12-29/h3-6,15H,7-14,16H2,1-2H3,(H,26,27).
What are the key properties of 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone?
2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone has a molecular weight of 466.54 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(3,4-dimethoxyphenyl)-1H-pyrazolo[4,3-b]pyridin-3-yl]piperazin-1-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 143254060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).