3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid

C26H31N3O5 — CID 118308680

IUPAC3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(=O)O)c1
InChIInChI=1S/C26H31N3O5/c1-17-22(24(31)28-26(2,16-30)20-11-6-10-19(14-20)25(32)33)29-13-7-12-21(23(29)27-17)34-15-18-8-4-3-5-9-18/h6-7,10-14,18,30H,3-5,8-9,15-16H2,1-2H3,(H,28,31)(H,32,33)/t26-/m0/s1
InChIKeyWVOWROVGYUTFPL-SANMLTNESA-N
MW465.55 g/mol
LogP3.94
Rot. Bonds8

About 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid

3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid (PubChem CID 118308680) has the molecular formula C26H31N3O5 and a molecular weight of 465.55 g/mol. Its IUPAC name is 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid.

Molecular Properties

Compound Name3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid
PubChem CID118308680
Molecular FormulaC26H31N3O5
Molecular Weight465.55 g/mol
Exact Mass465.23
IUPAC Name3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid
SMILESCc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(=O)O)c1
InChIInChI=1S/C26H31N3O5/c1-17-22(24(31)28-26(2,16-30)20-11-6-10-19(14-20)25(32)33)29-13-7-12-21(23(29)27-17)34-15-18-8-4-3-5-9-18/h6-7,10-14,18,30H,3-5,8-9,15-16H2,1-2H3,(H,28,31)(H,32,33)/t26-/m0/s1
InChIKeyWVOWROVGYUTFPL-SANMLTNESA-N
XLogP3.94
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.55
LogP ≤ 53.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid?
The IUPAC name of 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid (CID 118308680) is 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid.
What is the SMILES notation for 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid?
The canonical SMILES for 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid is Cc1nc2c(OCC3CCCCC3)cccn2c1C(=O)N[C@@](C)(CO)c1cccc(C(=O)O)c1.
What is the InChIKey of 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid?
The InChIKey is WVOWROVGYUTFPL-SANMLTNESA-N. The full InChI is InChI=1S/C26H31N3O5/c1-17-22(24(31)28-26(2,16-30)20-11-6-10-19(14-20)25(32)33)29-13-7-12-21(23(29)27-17)34-15-18-8-4-3-5-9-18/h6-7,10-14,18,30H,3-5,8-9,15-16H2,1-2H3,(H,28,31)(H,32,33)/t26-/m0/s1.
What are the key properties of 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid?
3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid has a molecular weight of 465.55 g/mol, XLogP of 3.94, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-[[8-(cyclohexylmethoxy)-2-methylimidazo[1,2-a]pyridine-3-carbonyl]amino]-1-hydroxypropan-2-yl]benzoic acid is sourced from PubChem (CID 118308680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).