2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide

C91H108BrCl2F3N16O4 — CID 160691170

IUPAC2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1Br.CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H29BrN4O.C23H26Cl2N4O.C23H27F3N4O.C21H26N4O/c1-17(2)13-15-28(24(30)19-10-5-6-11-20(19)25)16-22-27-21-12-7-14-26-23(21)29(22)18-8-3-4-9-18;1-15(2)13-28(23(30)17-9-5-10-18(24)21(17)25)14-20-27-19-11-6-12-26-22(19)29(20)16-7-3-4-8-16;1-3-5-6-14-29(22(31)17-9-7-10-18(15-17)23(24,25)26)16-20-28-19-11-8-12-27-21(19)30(20)13-4-2;1-4-13-24(21(26)17-10-8-16(3)9-11-17)15-19-23-18-7-6-12-22-20(18)25(19)14-5-2/h5-7,10-12,14,17-18H,3-4,8-9,13,15-16H2,1-2H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;7-12,15H,3-6,13-14,16H2,1-2H3;6-12H,4-5,13-15H2,1-3H3
InChIKeyRPKQDNYDKDFYDK-UHFFFAOYSA-N
MW1697.78 g/mol
LogP22.04
Rot. Bonds29

About 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide

2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide (PubChem CID 160691170) has the molecular formula C91H108BrCl2F3N16O4 and a molecular weight of 1697.78 g/mol. Its IUPAC name is 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
PubChem CID160691170
Molecular FormulaC91H108BrCl2F3N16O4
Molecular Weight1697.78 g/mol
Exact Mass1694.73
IUPAC Name2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1Br.CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(C)cc1
InChIInChI=1S/C24H29BrN4O.C23H26Cl2N4O.C23H27F3N4O.C21H26N4O/c1-17(2)13-15-28(24(30)19-10-5-6-11-20(19)25)16-22-27-21-12-7-14-26-23(21)29(22)18-8-3-4-9-18;1-15(2)13-28(23(30)17-9-5-10-18(24)21(17)25)14-20-27-19-11-6-12-26-22(19)29(20)16-7-3-4-8-16;1-3-5-6-14-29(22(31)17-9-7-10-18(15-17)23(24,25)26)16-20-28-19-11-8-12-27-21(19)30(20)13-4-2;1-4-13-24(21(26)17-10-8-16(3)9-11-17)15-19-23-18-7-6-12-22-20(18)25(19)14-5-2/h5-7,10-12,14,17-18H,3-4,8-9,13,15-16H2,1-2H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;7-12,15H,3-6,13-14,16H2,1-2H3;6-12H,4-5,13-15H2,1-3H3
InChIKeyRPKQDNYDKDFYDK-UHFFFAOYSA-N
XLogP22.04
TPSA204.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds29
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001697.78
LogP ≤ 522.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide (CID 160691170) is 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccccc1Br.CC(C)CN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(Cl)c1Cl.CCCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(C(F)(F)F)c1.CCCN(Cc1nc2cccnc2n1CCC)C(=O)c1ccc(C)cc1.
What is the InChIKey of 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
The InChIKey is RPKQDNYDKDFYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O.C23H26Cl2N4O.C23H27F3N4O.C21H26N4O/c1-17(2)13-15-28(24(30)19-10-5-6-11-20(19)25)16-22-27-21-12-7-14-26-23(21)29(22)18-8-3-4-9-18;1-15(2)13-28(23(30)17-9-5-10-18(24)21(17)25)14-20-27-19-11-6-12-26-22(19)29(20)16-7-3-4-8-16;1-3-5-6-14-29(22(31)17-9-7-10-18(15-17)23(24,25)26)16-20-28-19-11-8-12-27-21(19)30(20)13-4-2;1-4-13-24(21(26)17-10-8-16(3)9-11-17)15-19-23-18-7-6-12-22-20(18)25(19)14-5-2/h5-7,10-12,14,17-18H,3-4,8-9,13,15-16H2,1-2H3;5-6,9-12,15-16H,3-4,7-8,13-14H2,1-2H3;7-12,15H,3-6,13-14,16H2,1-2H3;6-12H,4-5,13-15H2,1-3H3.
What are the key properties of 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide?
2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1697.78 g/mol, XLogP of 22.04, 29 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)benzamide;2,3-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(2-methylpropyl)benzamide;4-methyl-N-propyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-pentyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 160691170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).