2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole

C25H23N7O — CID 134327889

IUPAC2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cncc(-c6ncco6)c5)nc34)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-31-9-11-32(12-10-31)20-4-2-17(3-5-20)23-24-22(29-30-23)7-6-21(28-24)18-14-19(16-26-15-18)25-27-8-13-33-25/h2-8,13-16H,9-12H2,1H3,(H,29,30)
InChIKeyGLEROJPODUJGPZ-UHFFFAOYSA-N
MW437.51 g/mol
LogP4.09
Rot. Bonds4

About 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole

2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole (PubChem CID 134327889) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole
PubChem CID134327889
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole
SMILESCN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cncc(-c6ncco6)c5)nc34)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-31-9-11-32(12-10-31)20-4-2-17(3-5-20)23-24-22(29-30-23)7-6-21(28-24)18-14-19(16-26-15-18)25-27-8-13-33-25/h2-8,13-16H,9-12H2,1H3,(H,29,30)
InChIKeyGLEROJPODUJGPZ-UHFFFAOYSA-N
XLogP4.09
TPSA86.97 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole?
The IUPAC name of 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole (CID 134327889) is 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole.
What is the SMILES notation for 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole?
The canonical SMILES for 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole is CN1CCN(c2ccc(-c3n[nH]c4ccc(-c5cncc(-c6ncco6)c5)nc34)cc2)CC1.
What is the InChIKey of 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole?
The InChIKey is GLEROJPODUJGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-31-9-11-32(12-10-31)20-4-2-17(3-5-20)23-24-22(29-30-23)7-6-21(28-24)18-14-19(16-26-15-18)25-27-8-13-33-25/h2-8,13-16H,9-12H2,1H3,(H,29,30).
What are the key properties of 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole?
2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole has a molecular weight of 437.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[3-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-1,3-oxazole is sourced from PubChem (CID 134327889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).