3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid

C20H19F2N3O3 — CID 154965068

IUPAC3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESCc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(C(=O)O)cc3F)nc2c1
InChIInChI=1S/C20H19F2N3O3/c1-11-2-4-25-16(9-13-10-23-3-5-28-13)19(24-17(25)6-11)18-14(21)7-12(20(26)27)8-15(18)22/h2,4,6-8,13,23H,3,5,9-10H2,1H3,(H,26,27)
InChIKeyVOXARVYLFVULRA-UHFFFAOYSA-N
MW387.39 g/mol
LogP2.82
Rot. Bonds4

About 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid

3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 154965068) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
PubChem CID154965068
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESCc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(C(=O)O)cc3F)nc2c1
InChIInChI=1S/C20H19F2N3O3/c1-11-2-4-25-16(9-13-10-23-3-5-28-13)19(24-17(25)6-11)18-14(21)7-12(20(26)27)8-15(18)22/h2,4,6-8,13,23H,3,5,9-10H2,1H3,(H,26,27)
InChIKeyVOXARVYLFVULRA-UHFFFAOYSA-N
XLogP2.82
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 154965068) is 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid is Cc1ccn2c(CC3CNCCO3)c(-c3c(F)cc(C(=O)O)cc3F)nc2c1.
What is the InChIKey of 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The InChIKey is VOXARVYLFVULRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c1-11-2-4-25-16(9-13-10-23-3-5-28-13)19(24-17(25)6-11)18-14(21)7-12(20(26)27)8-15(18)22/h2,4,6-8,13,23H,3,5,9-10H2,1H3,(H,26,27).
What are the key properties of 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid?
3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 387.39 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-[7-methyl-3-(morpholin-2-ylmethyl)imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 154965068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).