4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

C24H18ClFN4O4 — CID 73295596

IUPAC4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3N3CCOCC3)c3cccnc23)c(F)c1
InChIInChI=1S/C24H18ClFN4O4/c25-16-3-1-4-18(29-9-11-34-12-10-29)20(16)23(31)30-19-5-2-8-27-22(19)21(28-30)15-7-6-14(24(32)33)13-17(15)26/h1-8,13H,9-12H2,(H,32,33)
InChIKeyMRUIGUAOGXKSOD-UHFFFAOYSA-N
MW480.88 g/mol
LogP4.11
Rot. Bonds4

About 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid

4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (PubChem CID 73295596) has the molecular formula C24H18ClFN4O4 and a molecular weight of 480.88 g/mol. Its IUPAC name is 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.

Molecular Properties

Compound Name4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
PubChem CID73295596
Molecular FormulaC24H18ClFN4O4
Molecular Weight480.88 g/mol
Exact Mass480.10
IUPAC Name4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid
SMILESO=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3N3CCOCC3)c3cccnc23)c(F)c1
InChIInChI=1S/C24H18ClFN4O4/c25-16-3-1-4-18(29-9-11-34-12-10-29)20(16)23(31)30-19-5-2-8-27-22(19)21(28-30)15-7-6-14(24(32)33)13-17(15)26/h1-8,13H,9-12H2,(H,32,33)
InChIKeyMRUIGUAOGXKSOD-UHFFFAOYSA-N
XLogP4.11
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.88
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The IUPAC name of 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid (CID 73295596) is 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid.
What is the SMILES notation for 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The canonical SMILES for 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is O=C(O)c1ccc(-c2nn(C(=O)c3c(Cl)cccc3N3CCOCC3)c3cccnc23)c(F)c1.
What is the InChIKey of 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
The InChIKey is MRUIGUAOGXKSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O4/c25-16-3-1-4-18(29-9-11-34-12-10-29)20(16)23(31)30-19-5-2-8-27-22(19)21(28-30)15-7-6-14(24(32)33)13-17(15)26/h1-8,13H,9-12H2,(H,32,33).
What are the key properties of 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid?
4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid has a molecular weight of 480.88 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-chloro-6-morpholin-4-ylbenzoyl)pyrazolo[4,3-b]pyridin-3-yl]-3-fluorobenzoic acid is sourced from PubChem (CID 73295596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).