5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride

C86H73BBrCl4F3N12O13 — CID 157071420

IUPAC5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)CC4(c5ccccn5)CC4)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.COc1cc(Cl)c(B(O)O)cc1C(=O)O.Cl.NC1(c2ccccn2)CC1
InChIInChI=1S/C32H26ClFN4O3.C23H17ClFN3O4.C15H11BrFN3O.C8H8BClO5.C8H10N2.ClH/c1-35-31(40)30-29(19-6-9-21(34)10-7-19)37-28-11-8-20(18-38(28)30)22-15-23(26(41-2)16-24(22)33)25(39)17-32(12-13-32)27-5-3-4-14-36-27;1-26-22(29)21-20(12-3-6-14(25)7-4-12)27-19-8-5-13(11-28(19)21)15-9-16(23(30)31)18(32-2)10-17(15)24;1-18-15(21)14-13(9-2-5-11(17)6-3-9)19-12-7-4-10(16)8-20(12)14;1-15-7-3-6(10)5(9(13)14)2-4(7)8(11)12;9-8(4-5-8)7-3-1-2-6-10-7;/h3-11,14-16,18H,12-13,17H2,1-2H3,(H,35,40);3-11H,1-2H3,(H,26,29)(H,30,31);2-8H,1H3,(H,18,21);2-3,13-14H,1H3,(H,11,12);1-3,6H,4-5,9H2;1H
InChIKeyIBKBVEUFRBLWHF-UHFFFAOYSA-N
MW1772.12 g/mol
LogP15.50
Rot. Bonds19

About 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride

5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride (PubChem CID 157071420) has the molecular formula C86H73BBrCl4F3N12O13 and a molecular weight of 1772.12 g/mol. Its IUPAC name is 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride.

Molecular Properties

Compound Name5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride
PubChem CID157071420
Molecular FormulaC86H73BBrCl4F3N12O13
Molecular Weight1772.12 g/mol
Exact Mass1768.34
IUPAC Name5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride
SMILESCNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)CC4(c5ccccn5)CC4)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.COc1cc(Cl)c(B(O)O)cc1C(=O)O.Cl.NC1(c2ccccn2)CC1
InChIInChI=1S/C32H26ClFN4O3.C23H17ClFN3O4.C15H11BrFN3O.C8H8BClO5.C8H10N2.ClH/c1-35-31(40)30-29(19-6-9-21(34)10-7-19)37-28-11-8-20(18-38(28)30)22-15-23(26(41-2)16-24(22)33)25(39)17-32(12-13-32)27-5-3-4-14-36-27;1-26-22(29)21-20(12-3-6-14(25)7-4-12)27-19-8-5-13(11-28(19)21)15-9-16(23(30)31)18(32-2)10-17(15)24;1-18-15(21)14-13(9-2-5-11(17)6-3-9)19-12-7-4-10(16)8-20(12)14;1-15-7-3-6(10)5(9(13)14)2-4(7)8(11)12;9-8(4-5-8)7-3-1-2-6-10-7;/h3-11,14-16,18H,12-13,17H2,1-2H3,(H,35,40);3-11H,1-2H3,(H,26,29)(H,30,31);2-8H,1H3,(H,18,21);2-3,13-14H,1H3,(H,11,12);1-3,6H,4-5,9H2;1H
InChIKeyIBKBVEUFRBLWHF-UHFFFAOYSA-N
XLogP15.50
TPSA350.82 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds19
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001772.12
LogP ≤ 515.50
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride with MolForge

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Related Compounds

5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride
CID 157761027
3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;methane;2-phenylpropan-2-amine
CID 157942871
3-borono-4-chlorobenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-3-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]benzoic acid;6-[2-chloro-5-(2-phenylpropan-2-ylcarbamoyl)phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;2-phenylpropan-2-amine
CID 162000056

Frequently Asked Questions

What is the IUPAC name of 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride?
The IUPAC name of 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride (CID 157071420) is 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride.
What is the SMILES notation for 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride?
The canonical SMILES for 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride is CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)CC4(c5ccccn5)CC4)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(-c3cc(C(=O)O)c(OC)cc3Cl)cn12.CNC(=O)c1c(-c2ccc(F)cc2)nc2ccc(Br)cn12.COc1cc(Cl)c(B(O)O)cc1C(=O)O.Cl.NC1(c2ccccn2)CC1.
What is the InChIKey of 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride?
The InChIKey is IBKBVEUFRBLWHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26ClFN4O3.C23H17ClFN3O4.C15H11BrFN3O.C8H8BClO5.C8H10N2.ClH/c1-35-31(40)30-29(19-6-9-21(34)10-7-19)37-28-11-8-20(18-38(28)30)22-15-23(26(41-2)16-24(22)33)25(39)17-32(12-13-32)27-5-3-4-14-36-27;1-26-22(29)21-20(12-3-6-14(25)7-4-12)27-19-8-5-13(11-28(19)21)15-9-16(23(30)31)18(32-2)10-17(15)24;1-18-15(21)14-13(9-2-5-11(17)6-3-9)19-12-7-4-10(16)8-20(12)14;1-15-7-3-6(10)5(9(13)14)2-4(7)8(11)12;9-8(4-5-8)7-3-1-2-6-10-7;/h3-11,14-16,18H,12-13,17H2,1-2H3,(H,35,40);3-11H,1-2H3,(H,26,29)(H,30,31);2-8H,1H3,(H,18,21);2-3,13-14H,1H3,(H,11,12);1-3,6H,4-5,9H2;1H.
What are the key properties of 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride?
5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride has a molecular weight of 1772.12 g/mol, XLogP of 15.50, 19 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-borono-4-chloro-2-methoxybenzoic acid;6-bromo-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;4-chloro-5-[2-(4-fluorophenyl)-3-(methylcarbamoyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxybenzoic acid;6-[2-chloro-4-methoxy-5-[2-(1-pyridin-2-ylcyclopropyl)acetyl]phenyl]-2-(4-fluorophenyl)-N-methylimidazo[1,2-a]pyridine-3-carboxamide;1-pyridin-2-ylcyclopropan-1-amine;hydrochloride is sourced from PubChem (CID 157071420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).