[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid

C112H101BrCl5F3N16O10 — CID 158035206

IUPAC[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2nc3ccc(C)cn3c2CO)c1.Cc1ccc2nc(-c3ccc(C#N)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(CCCN)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)O)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CO)n2c1.Cc1ccc2nc(-c3ccccc3Cl)c(CO)n2c1.O=C(O)C(F)(F)F.OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12
InChIInChI=1S/C18H21N3O.C16H15ClN2O.C16H13N3O.C16H16N2O2.C15H12Cl2N2O.C15H13ClN2O.C14H10BrClN2O.C2HF3O2/c1-13-4-9-17-20-18(16(12-22)21(17)11-13)15-7-5-14(6-8-15)3-2-10-19;1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10;1-11-2-7-15-18-16(14(10-20)19(15)9-11)13-5-3-12(8-17)4-6-13;1-11-6-7-15-17-16(14(10-19)18(15)9-11)12-4-3-5-13(8-12)20-2;1-9-2-5-14-18-15(13(8-20)19(14)7-9)11-4-3-10(16)6-12(11)17;1-10-6-7-14-17-15(13(9-19)18(14)8-10)11-4-2-3-5-12(11)16;15-10-3-1-9(2-4-10)14-12(8-19)18-6-5-11(16)7-13(18)17-14;3-2(4,5)1(6)7/h4-9,11,22H,2-3,10,12,19H2,1H3;3-9,11,20H,1-2H3;2-7,9,20H,10H2,1H3;3-9,19H,10H2,1-2H3;2-7,20H,8H2,1H3;2-8,19H,9H2,1H3;1-7,19H,8H2;(H,6,7)
InChIKeyZZDYJQMOCYHLRC-UHFFFAOYSA-N
MW2145.30 g/mol
LogP24.30
Rot. Bonds18

About [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid

[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid (PubChem CID 158035206) has the molecular formula C112H101BrCl5F3N16O10 and a molecular weight of 2145.30 g/mol. Its IUPAC name is [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid
PubChem CID158035206
Molecular FormulaC112H101BrCl5F3N16O10
Molecular Weight2145.30 g/mol
Exact Mass2140.55
IUPAC Name[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid
SMILESCOc1cccc(-c2nc3ccc(C)cn3c2CO)c1.Cc1ccc2nc(-c3ccc(C#N)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(CCCN)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)O)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CO)n2c1.Cc1ccc2nc(-c3ccccc3Cl)c(CO)n2c1.O=C(O)C(F)(F)F.OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12
InChIInChI=1S/C18H21N3O.C16H15ClN2O.C16H13N3O.C16H16N2O2.C15H12Cl2N2O.C15H13ClN2O.C14H10BrClN2O.C2HF3O2/c1-13-4-9-17-20-18(16(12-22)21(17)11-13)15-7-5-14(6-8-15)3-2-10-19;1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10;1-11-2-7-15-18-16(14(10-20)19(15)9-11)13-5-3-12(8-17)4-6-13;1-11-6-7-15-17-16(14(10-19)18(15)9-11)12-4-3-5-13(8-12)20-2;1-9-2-5-14-18-15(13(8-20)19(14)7-9)11-4-3-10(16)6-12(11)17;1-10-6-7-14-17-15(13(9-19)18(14)8-10)11-4-2-3-5-12(11)16;15-10-3-1-9(2-4-10)14-12(8-19)18-6-5-11(16)7-13(18)17-14;3-2(4,5)1(6)7/h4-9,11,22H,2-3,10,12,19H2,1H3;3-9,11,20H,1-2H3;2-7,9,20H,10H2,1H3;3-9,19H,10H2,1-2H3;2-7,20H,8H2,1H3;2-8,19H,9H2,1H3;1-7,19H,8H2;(H,6,7)
InChIKeyZZDYJQMOCYHLRC-UHFFFAOYSA-N
XLogP24.30
TPSA359.05 Ų
H-Bond Donors9
H-Bond Acceptors25
Rotatable Bonds18
Heavy Atoms147
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002145.30
LogP ≤ 524.30
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1025

Analyze [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid (CID 158035206) is [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid is COc1cccc(-c2nc3ccc(C)cn3c2CO)c1.Cc1ccc2nc(-c3ccc(C#N)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(CCCN)cc3)c(CO)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3)c(C(C)O)n2c1.Cc1ccc2nc(-c3ccc(Cl)cc3Cl)c(CO)n2c1.Cc1ccc2nc(-c3ccccc3Cl)c(CO)n2c1.O=C(O)C(F)(F)F.OCc1c(-c2ccc(Br)cc2)nc2cc(Cl)ccn12.
What is the InChIKey of [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid?
The InChIKey is ZZDYJQMOCYHLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O.C16H15ClN2O.C16H13N3O.C16H16N2O2.C15H12Cl2N2O.C15H13ClN2O.C14H10BrClN2O.C2HF3O2/c1-13-4-9-17-20-18(16(12-22)21(17)11-13)15-7-5-14(6-8-15)3-2-10-19;1-10-3-8-14-18-15(12-4-6-13(17)7-5-12)16(11(2)20)19(14)9-10;1-11-2-7-15-18-16(14(10-20)19(15)9-11)13-5-3-12(8-17)4-6-13;1-11-6-7-15-17-16(14(10-19)18(15)9-11)12-4-3-5-13(8-12)20-2;1-9-2-5-14-18-15(13(8-20)19(14)7-9)11-4-3-10(16)6-12(11)17;1-10-6-7-14-17-15(13(9-19)18(14)8-10)11-4-2-3-5-12(11)16;15-10-3-1-9(2-4-10)14-12(8-19)18-6-5-11(16)7-13(18)17-14;3-2(4,5)1(6)7/h4-9,11,22H,2-3,10,12,19H2,1H3;3-9,11,20H,1-2H3;2-7,9,20H,10H2,1H3;3-9,19H,10H2,1-2H3;2-7,20H,8H2,1H3;2-8,19H,9H2,1H3;1-7,19H,8H2;(H,6,7).
What are the key properties of [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid?
[2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid has a molecular weight of 2145.30 g/mol, XLogP of 24.30, 18 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(3-aminopropyl)phenyl]-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(4-bromophenyl)-7-chloroimidazo[1,2-a]pyridin-3-yl]methanol;1-[2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanol;[2-(2-chlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;[2-(2,4-dichlorophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;4-[3-(hydroxymethyl)-6-methylimidazo[1,2-a]pyridin-2-yl]benzonitrile;[2-(3-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 158035206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).