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

C40H36F2N10O5 — CID 159213641

IUPAC6-[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
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@@H](O)CO)cn12
InChIInChI=1S/C20H18FN5O3.C20H18FN5O2/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;21-15-5-2-13(3-6-15)18-19(25(12-24-18)8-1-9-27)14-4-7-17-23-10-16(20(22)28)26(17)11-14/h1-8,11,15,27-28H,9-10H2,(H2,22,29);2-7,10-12,27H,1,8-9H2,(H2,22,28)/t15-;/m1./s1
InChIKeyKQUOWMAJIDOYLU-XFULWGLBSA-N
MW774.79 g/mol
LogP3.94
Rot. Bonds12

About 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

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 (PubChem CID 159213641) has the molecular formula C40H36F2N10O5 and a molecular weight of 774.79 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name6-[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
PubChem CID159213641
Molecular FormulaC40H36F2N10O5
Molecular Weight774.79 g/mol
Exact Mass774.28
IUPAC Name6-[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
SMILESNC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@@H](O)CO)cn12
InChIInChI=1S/C20H18FN5O3.C20H18FN5O2/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;21-15-5-2-13(3-6-15)18-19(25(12-24-18)8-1-9-27)14-4-7-17-23-10-16(20(22)28)26(17)11-14/h1-8,11,15,27-28H,9-10H2,(H2,22,29);2-7,10-12,27H,1,8-9H2,(H2,22,28)/t15-;/m1./s1
InChIKeyKQUOWMAJIDOYLU-XFULWGLBSA-N
XLogP3.94
TPSA217.11 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500774.79
LogP ≤ 53.94
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Analyze 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 with MolForge

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Related Compounds

6-[3-(2,3-dihydroxypropyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 122510483
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-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
6-[3-(4-fluorophenyl)-5-methyl-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 139527802
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
6-(4-bromothiophen-3-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 145449205
2-[4-(4-fluorophenyl)-5-(3-isocyanoimidazo[1,2-b]pyridazin-6-yl)imidazol-1-yl]ethanol
CID 140737385
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-1-ol
CID 145149136

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CCCO)cn12.NC(=O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3C[C@@H](O)CO)cn12.
What is the InChIKey of 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?
The InChIKey is KQUOWMAJIDOYLU-XFULWGLBSA-N. The full InChI is InChI=1S/C20H18FN5O3.C20H18FN5O2/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;21-15-5-2-13(3-6-15)18-19(25(12-24-18)8-1-9-27)14-4-7-17-23-10-16(20(22)28)26(17)11-14/h1-8,11,15,27-28H,9-10H2,(H2,22,29);2-7,10-12,27H,1,8-9H2,(H2,22,28)/t15-;/m1./s1.
What are the key properties of 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?
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 has a molecular weight of 774.79 g/mol, XLogP of 3.94, 12 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159213641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).