N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide

C18H23N3O4 — CID 59272877

IUPACN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H23N3O4/c1-11(23)19-15-17(25)16(24)14(10-22)21-9-13(20-18(15)21)8-7-12-5-3-2-4-6-12/h2-6,9,14-17,22,24-25H,7-8,10H2,1H3,(H,19,23)/t14?,15?,16-,17+/m0/s1
InChIKeyXTGDONMGNBYIDX-SJJHQCBESA-N
MW345.40 g/mol
LogP0.11
Rot. Bonds5

About N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide

N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide (PubChem CID 59272877) has the molecular formula C18H23N3O4 and a molecular weight of 345.40 g/mol. Its IUPAC name is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide.

Molecular Properties

Compound NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide
PubChem CID59272877
Molecular FormulaC18H23N3O4
Molecular Weight345.40 g/mol
Exact Mass345.17
IUPAC NameN-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide
SMILESCC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O
InChIInChI=1S/C18H23N3O4/c1-11(23)19-15-17(25)16(24)14(10-22)21-9-13(20-18(15)21)8-7-12-5-3-2-4-6-12/h2-6,9,14-17,22,24-25H,7-8,10H2,1H3,(H,19,23)/t14?,15?,16-,17+/m0/s1
InChIKeyXTGDONMGNBYIDX-SJJHQCBESA-N
XLogP0.11
TPSA107.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(5R,6R,7S,8S)-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10267025
GlcNAcstatin
CID 16098255
(5R,6R,7S,8S)-5-(Hydroxymethyl)-2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-A]pyridine-6,7,8-triol
CID 5288604
(2E)-N-(2-(1-beta-D-Glucopyranosyl-1H-imidazol-4-yl)ethyl)-N-methyl-3-phenyl-2-propenamide
CID 5281818
(5R,6R,7S,8R)-5,6,7,8-Tetrahydro-5-(hydroxymethyl)-2-(2-phenylethyl)-imidazo[1,2-a]pyridine-6,7,8-triol
CID 11312752
2-[3-(4-Fluorophenyl)propyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982389
N-[(5r,6r,7r,8s)-6,7-Dihydroxy-5-(Hydroxymethyl)-2-(2-Phenylethyl)-5,6,7,8-Tetrahydroimidazo[1,2-A]pyridin-8-Yl]-3-Sulfanylpropanamide
CID 52947684
N-[(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]propanamide
CID 72199425
5-(Hydroxymethyl)-2-[3-(4-phenylphenyl)propyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982387
2-[3-(4-Cyclohexylphenyl)propyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 74982388
(5R,6R,7S,8S)-5-(hydroxymethyl)-2-[2-(4-methylphenyl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 53358795
(6S,7S,8S)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol
CID 10880304

Frequently Asked Questions

What is the IUPAC name of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide?
The IUPAC name of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide (CID 59272877) is N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide.
What is the SMILES notation for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide?
The canonical SMILES for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide is CC(=O)NC1c2nc(CCc3ccccc3)cn2C(CO)[C@H](O)[C@@H]1O.
What is the InChIKey of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide?
The InChIKey is XTGDONMGNBYIDX-SJJHQCBESA-N. The full InChI is InChI=1S/C18H23N3O4/c1-11(23)19-15-17(25)16(24)14(10-22)21-9-13(20-18(15)21)8-7-12-5-3-2-4-6-12/h2-6,9,14-17,22,24-25H,7-8,10H2,1H3,(H,19,23)/t14?,15?,16-,17+/m0/s1.
What are the key properties of N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide?
N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide has a molecular weight of 345.40 g/mol, XLogP of 0.11, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6S,7R)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-8-yl]acetamide is sourced from PubChem (CID 59272877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).