(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

C62H59BBrCl3N10O9 — CID 164960533

IUPAC(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
SMILESC1CCNCC1.COC(=O)c1ccn2c(Br)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O.C14H9ClN2O2.C9H7BrN2O2.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;15-11-3-1-2-9(6-11)12-8-16-13-7-10(14(18)19)4-5-17(12)13;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;1-8H,(H,18,19);2-5H,1H3;2-6H,1H3;1-4,9-10H;6H,1-5H2
InChIKeyBTWUDZCVCLEVAS-UHFFFAOYSA-N
MW1285.29 g/mol
LogP11.42
Rot. Bonds7

About (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

(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 (PubChem CID 164960533) has the molecular formula C62H59BBrCl3N10O9 and a molecular weight of 1285.29 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID164960533
Molecular FormulaC62H59BBrCl3N10O9
Molecular Weight1285.29 g/mol
Exact Mass1282.28
IUPAC Name(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
SMILESC1CCNCC1.COC(=O)c1ccn2c(Br)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.O=C(c1ccn2c(-c3cccc(Cl)c3)cnc2c1)N1CCCCC1.OB(O)c1cccc(Cl)c1
InChIInChI=1S/C19H18ClN3O.C14H9ClN2O2.C9H7BrN2O2.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;15-11-3-1-2-9(6-11)12-8-16-13-7-10(14(18)19)4-5-17(12)13;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;1-8H,(H,18,19);2-5H,1H3;2-6H,1H3;1-4,9-10H;6H,1-5H2
InChIKeyBTWUDZCVCLEVAS-UHFFFAOYSA-N
XLogP11.42
TPSA231.90 Ų
H-Bond Donors4
H-Bond Acceptors17
Rotatable Bonds7
Heavy Atoms86
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001285.29
LogP ≤ 511.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

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

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C1CCNCC1.COC(=O)c1ccn2c(Br)cnc2c1.COC(=O)c1ccn2ccnc2c1.O=C(O)c1ccn2c(-c3cccc(Cl)c3)cnc2c1.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]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?
The InChIKey is BTWUDZCVCLEVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O.C14H9ClN2O2.C9H7BrN2O2.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;15-11-3-1-2-9(6-11)12-8-16-13-7-10(14(18)19)4-5-17(12)13;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;1-8H,(H,18,19);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]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?
(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 has a molecular weight of 1285.29 g/mol, XLogP of 11.42, 7 rotatable bonds, 4 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 164960533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).