(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine

C63H61BCl3IN10O9 — CID 165030756

IUPAC(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine
SMILESC1CCNCC1.COC(=O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.COC(=O)c1ccn2c(I)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O.C15H11ClN2O2.C9H7IN2O2.C9H8N2O2.C6H6BClO2.C5H11N/c20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-15(19)11-5-6-18-13(9-17-14(18)8-11)10-3-2-4-12(16)7-10;1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h4-7,10-13H,1-3,8-9H2;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-4,9-10H;6H,1-5H2
InChIKeyMPOBGLCONZDZHU-UHFFFAOYSA-N
MW1346.32 g/mol
LogP11.35
Rot. Bonds7

About (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine

(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine (PubChem CID 165030756) has the molecular formula C63H61BCl3IN10O9 and a molecular weight of 1346.32 g/mol. Its IUPAC name is (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine.

Molecular Properties

Compound Name(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine
PubChem CID165030756
Molecular FormulaC63H61BCl3IN10O9
Molecular Weight1346.32 g/mol
Exact Mass1344.28
IUPAC Name(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine
SMILESC1CCNCC1.COC(=O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.COC(=O)c1ccn2c(I)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O.C15H11ClN2O2.C9H7IN2O2.C9H8N2O2.C6H6BClO2.C5H11N/c20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-15(19)11-5-6-18-13(9-17-14(18)8-11)10-3-2-4-12(16)7-10;1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h4-7,10-13H,1-3,8-9H2;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-4,9-10H;6H,1-5H2
InChIKeyMPOBGLCONZDZHU-UHFFFAOYSA-N
XLogP11.35
TPSA220.90 Ų
H-Bond Donors3
H-Bond Acceptors18
Rotatable Bonds7
Heavy Atoms87
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001346.32
LogP ≤ 511.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine with MolForge

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Related Compounds

1-[3-[7-(2-Hydroxypropan-2-yl)imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea;2-imidazo[1,2-a]pyridin-7-ylpropan-2-ol;2-(3-iodoimidazo[1,2-a]pyridin-7-yl)propan-2-ol;methyl 2-aminopyridine-4-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate
CID 159175827
methyl 3-(2-aminoethyl)-2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-[(E)-2-(3-chloro-2-fluorophenyl)ethenyl]-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 157224587
sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;2-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine-7-carboxamide
CID 157593676
Sodium;2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl 2-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate
CID 158314385
(2,4-dichlorophenyl)boronic acid;3-(2,4-dichlorophenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine-7-carboxamide;methane;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;oxan-4-ylmethanamine
CID 158332225
4-Boronobenzoic acid;6-chloroimidazo[1,2-b]pyridazine;4-imidazo[1,2-b]pyridazin-6-ylbenzoic acid;[4-(3-iodoimidazo[1,2-b]pyridazin-6-yl)phenyl]-(4-methylpiperazin-1-yl)methanone;1-methylpiperazine
CID 158961728
1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2-methylimidazo[1,2-a]pyridine;N-hydroxy-2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxamide;3-iodo-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 2-aminopyrimidine-5-carboxylate;2-methylimidazo[1,2-a]pyridine;methyl 2-[[4-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyrimidine-5-carboxylate;pyridin-2-amine
CID 159739071
(3-chlorophenyl)boronic acid;3-(3-chlorophenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-a]pyridine-7-carboxamide;methane;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;oxan-4-ylmethanamine
CID 160779402
1-chloropropan-2-one;(2-chloro-4-pyridinyl)boronic acid;3-(2-chloro-4-pyridinyl)-2,7-dimethylimidazo[1,2-a]pyridine;2,7-dimethylimidazo[1,2-a]pyridine;6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]-N-hydroxypyridine-3-carboxamide;3-iodo-7-methyl-2-methylideneimidazo[1,2-a]pyridin-4-ium;methyl 6-aminopyridine-3-carboxylate;methyl 6-[[4-(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)-2-pyridinyl]amino]pyridine-3-carboxylate;4-methylpyridin-2-amine;hydrate
CID 161150322
Tert-butyl 8-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-2-methylimidazo[1,2-a]pyridine-3-carboxylate;tert-butyl 8-[(3-chloro-4-fluorophenyl)methyl-methylcarbamoyl]-2-methylimidazo[1,2-a]pyridine-3-carboxylate;8-[(3-chloro-4-fluorophenyl)methyl-methylcarbamoyl]-2-methylimidazo[1,2-a]pyridine-3-carboxylic acid;2-methyl-3-[(2-methylpropan-2-yl)oxycarbonyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 161920751
(3-Chlorophenyl)boronic acid;3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-bromoimidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;piperidine
CID 164960533

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine?
The IUPAC name of (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine (CID 165030756) is (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine.
What is the SMILES notation for (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine?
The canonical SMILES for (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine is C1CCNCC1.COC(=O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.COC(=O)c1ccn2c(I)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1.
What is the InChIKey of (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine?
The InChIKey is MPOBGLCONZDZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O.C15H11ClN2O2.C9H7IN2O2.C9H8N2O2.C6H6BClO2.C5H11N/c20-16-6-4-5-14(11-16)17-13-21-18-12-15(7-10-23(17)18)19(24)22-8-2-1-3-9-22;1-20-15(19)11-5-6-18-13(9-17-14(18)8-11)10-3-2-4-12(16)7-10;1-14-9(13)6-2-3-12-7(10)5-11-8(12)4-6;1-13-9(12)7-2-4-11-5-3-10-8(11)6-7;8-6-3-1-2-5(4-6)7(9)10;1-2-4-6-5-3-1/h4-7,10-13H,1-3,8-9H2;2-9H,1H3;2-5H,1H3;2-6H,1H3;1-4,9-10H;6H,1-5H2.
What are the key properties of (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine?
(3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine has a molecular weight of 1346.32 g/mol, XLogP of 11.35, 7 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)boronic acid;[3-(3-chlorophenyl)imidazo[1,2-a]pyridin-7-yl]-piperidin-1-ylmethanone;methyl 3-(3-chlorophenyl)imidazo[1,2-a]pyridine-7-carboxylate;methyl imidazo[1,2-a]pyridine-7-carboxylate;methyl 3-iodoimidazo[1,2-a]pyridine-7-carboxylate;piperidine is sourced from PubChem (CID 165030756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).