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

C19H16F3N3O3 — CID 156827795

IUPAC3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1
InChIInChI=1S/C19H16F3N3O3/c20-11-1-3-25-15(8-12-9-23-2-4-28-12)18(24-16(25)7-11)17-13(21)5-10(19(26)27)6-14(17)22/h1,3,5-7,12,23H,2,4,8-9H2,(H,26,27)/t12-/m0/s1
InChIKeyLAUIEQDQHBPCOX-LBPRGKRZSA-N
MW391.35 g/mol
LogP2.65
Rot. Bonds4

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

3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid (PubChem CID 156827795) has the molecular formula C19H16F3N3O3 and a molecular weight of 391.35 g/mol. Its IUPAC name is 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid.

Molecular Properties

Compound Name3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
PubChem CID156827795
Molecular FormulaC19H16F3N3O3
Molecular Weight391.35 g/mol
Exact Mass391.11
IUPAC Name3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid
SMILESO=C(O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1
InChIInChI=1S/C19H16F3N3O3/c20-11-1-3-25-15(8-12-9-23-2-4-28-12)18(24-16(25)7-11)17-13(21)5-10(19(26)27)6-14(17)22/h1,3,5-7,12,23H,2,4,8-9H2,(H,26,27)/t12-/m0/s1
InChIKeyLAUIEQDQHBPCOX-LBPRGKRZSA-N
XLogP2.65
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Zolpidem carboxylic acid
CID 11966044
Camlipixant
CID 76955630
4-[4-(4-fluorophenyl)-5-(4-pyridyl)-1H-imidazol-2-yl]benzoic acid
CID 11057468
N-(2-cyclopropyl-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 23120582
4-[6-[(4-Hydroxycyclohexyl)amino]imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 24996719
N-(2-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45268527
N-(2-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl)-4''-(trifluoromethyl)biphenyl-4-carboxamide
CID 45273623
4-[2-[8-[(3-Fluorophenyl)methyl]-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-5-yl]-2-oxoethyl]benzoic acid
CID 89523537
US10087188, Example 26
CID 121455605
4-(6-{[(1R)-1-(hydroxymethyl)propyl]amino}imidazo[1,2-b]pyridazin-3-yl)benzoic acid
CID 24180718
Imidazo[1,2-a]pyridin-2-ylmethyl 4-methylbenzoate
CID 2999528
N-[2-cyclopropyl-3-(1-hydroxyethyl)imidazo[1,2-a]pyridin-6-yl]-4-[4-(trifluoromethyl)phenyl]benzamide
CID 45270147

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The IUPAC name of 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid (CID 156827795) is 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid.
What is the SMILES notation for 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The canonical SMILES for 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid is O=C(O)c1cc(F)c(-c2nc3cc(F)ccn3c2C[C@H]2CNCCO2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?
The InChIKey is LAUIEQDQHBPCOX-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H16F3N3O3/c20-11-1-3-25-15(8-12-9-23-2-4-28-12)18(24-16(25)7-11)17-13(21)5-10(19(26)27)6-14(17)22/h1,3,5-7,12,23H,2,4,8-9H2,(H,26,27)/t12-/m0/s1.
What are the key properties of 3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid?
3,5-difluoro-4-[7-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid has a molecular weight of 391.35 g/mol, XLogP of 2.65, 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-fluoro-3-[[(2S)-morpholin-2-yl]methyl]imidazo[1,2-a]pyridin-2-yl]benzoic acid is sourced from PubChem (CID 156827795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).