6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C20H18FN5O3 — CID 122510483

IUPAC6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)CO)cn12
InChIInChI=1S/C20H18FN5O3/c21-14-4-1-12(2-5-14)18-19(25(11-24-18)9-15(28)10-27)13-3-6-17-23-7-16(20(22)29)26(17)8-13/h1-8,11,15,27-28H,9-10H2,(H2,22,29)
InChIKeyNWABDLHJRXAOMN-UHFFFAOYSA-N
MW395.39 g/mol
LogP1.46
Rot. Bonds6

About 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 122510483) has the molecular formula C20H18FN5O3 and a molecular weight of 395.39 g/mol. Its IUPAC name is 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
PubChem CID122510483
Molecular FormulaC20H18FN5O3
Molecular Weight395.39 g/mol
Exact Mass395.14
IUPAC Name6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)CO)cn12
InChIInChI=1S/C20H18FN5O3/c21-14-4-1-12(2-5-14)18-19(25(11-24-18)9-15(28)10-27)13-3-6-17-23-7-16(20(22)29)26(17)8-13/h1-8,11,15,27-28H,9-10H2,(H2,22,29)
InChIKeyNWABDLHJRXAOMN-UHFFFAOYSA-N
XLogP1.46
TPSA118.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

6-[3-[(2R)-2,3-dihydroxypropyl]-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide;6-[5-(4-fluorophenyl)-3-(3-hydroxypropyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 159213641
6-[3-(2,2-difluoroethyl)-5-pyridin-2-ylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 135233763
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)-2-methylimidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510459
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridin-3-yl]propan-2-ol
CID 122523296
6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]-3-isocyanoimidazo[1,2-a]pyridine
CID 140737268
6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139527802
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
6-[3-(3-chloro-4-fluorophenyl)-1-(2,2-difluoroethyl)pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134202619
1-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-a]pyridin-6-yl)imidazol-1-yl]-2-methylpropan-2-ol
CID 140737298
6-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 146935042
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
CID 145149136
6-[3-(2,2-difluoroethyl)-5-(3,4-difluorophenyl)imidazol-4-yl]-3-methylimidazo[1,2-a]pyridine
CID 145149047

Frequently Asked Questions

What is the IUPAC name of 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 122510483) is 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(O)CO)cn12.
What is the InChIKey of 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NWABDLHJRXAOMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O3/c21-14-4-1-12(2-5-14)18-19(25(11-24-18)9-15(28)10-27)13-3-6-17-23-7-16(20(22)29)26(17)8-13/h1-8,11,15,27-28H,9-10H2,(H2,22,29).
What are the key properties of 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?
6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 395.39 g/mol, XLogP of 1.46, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 122510483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).