N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide

C89H102Cl4F4N16O4 — CID 157227143

IUPACN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(Cl)cc1Cl.CCCn1c(CN(C)C(=O)c2ccc(F)cc2C)nc2cccnc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2Cl)nc2cccnc21
InChIInChI=1S/C25H29F3N4O.C24H28Cl2N4O.C21H24Cl2N4O.C19H21FN4O/c1-17(2)12-14-31(24(33)18-7-5-8-19(15-18)25(26,27)28)16-22-30-21-11-6-13-29-23(21)32(22)20-9-3-4-10-20;1-2-3-6-14-29(24(31)19-12-11-17(25)15-20(19)26)16-22-28-21-10-7-13-27-23(21)30(22)18-8-4-5-9-18;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)16-8-7-15(22)11-17(16)23;1-4-10-24-17(22-16-6-5-9-21-18(16)24)12-23(3)19(25)15-8-7-14(20)11-13(15)2/h5-8,11,13,15,17,20H,3-4,9-10,12,14,16H2,1-2H3;7,10-13,15,18H,2-6,8-9,14,16H2,1H3;5-9,11,14H,4,10,12-13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3
InChIKeyATRCJNBFJKAUPT-UHFFFAOYSA-N
MW1677.71 g/mol
LogP21.95
Rot. Bonds27

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

N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (PubChem CID 157227143) has the molecular formula C89H102Cl4F4N16O4 and a molecular weight of 1677.71 g/mol. Its IUPAC name is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
PubChem CID157227143
Molecular FormulaC89H102Cl4F4N16O4
Molecular Weight1677.71 g/mol
Exact Mass1674.70
IUPAC NameN-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide
SMILESCC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(Cl)cc1Cl.CCCn1c(CN(C)C(=O)c2ccc(F)cc2C)nc2cccnc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2Cl)nc2cccnc21
InChIInChI=1S/C25H29F3N4O.C24H28Cl2N4O.C21H24Cl2N4O.C19H21FN4O/c1-17(2)12-14-31(24(33)18-7-5-8-19(15-18)25(26,27)28)16-22-30-21-11-6-13-29-23(21)32(22)20-9-3-4-10-20;1-2-3-6-14-29(24(31)19-12-11-17(25)15-20(19)26)16-22-28-21-10-7-13-27-23(21)30(22)18-8-4-5-9-18;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)16-8-7-15(22)11-17(16)23;1-4-10-24-17(22-16-6-5-9-21-18(16)24)12-23(3)19(25)15-8-7-14(20)11-13(15)2/h5-8,11,13,15,17,20H,3-4,9-10,12,14,16H2,1-2H3;7,10-13,15,18H,2-6,8-9,14,16H2,1H3;5-9,11,14H,4,10,12-13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3
InChIKeyATRCJNBFJKAUPT-UHFFFAOYSA-N
XLogP21.95
TPSA204.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds27
Heavy Atoms117
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001677.71
LogP ≤ 521.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The IUPAC name of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide (CID 157227143) is N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide.
What is the SMILES notation for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The canonical SMILES for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is CC(C)CCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cccc(C(F)(F)F)c1.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1ccc(Cl)cc1Cl.CCCn1c(CN(C)C(=O)c2ccc(F)cc2C)nc2cccnc21.CCCn1c(CN(CC(C)C)C(=O)c2ccc(Cl)cc2Cl)nc2cccnc21.
What is the InChIKey of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
The InChIKey is ATRCJNBFJKAUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29F3N4O.C24H28Cl2N4O.C21H24Cl2N4O.C19H21FN4O/c1-17(2)12-14-31(24(33)18-7-5-8-19(15-18)25(26,27)28)16-22-30-21-11-6-13-29-23(21)32(22)20-9-3-4-10-20;1-2-3-6-14-29(24(31)19-12-11-17(25)15-20(19)26)16-22-28-21-10-7-13-27-23(21)30(22)18-8-4-5-9-18;1-4-10-27-19(25-18-6-5-9-24-20(18)27)13-26(12-14(2)3)21(28)16-8-7-15(22)11-17(16)23;1-4-10-24-17(22-16-6-5-9-21-18(16)24)12-23(3)19(25)15-8-7-14(20)11-13(15)2/h5-8,11,13,15,17,20H,3-4,9-10,12,14,16H2,1-2H3;7,10-13,15,18H,2-6,8-9,14,16H2,1H3;5-9,11,14H,4,10,12-13H2,1-3H3;5-9,11H,4,10,12H2,1-3H3.
What are the key properties of N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide?
N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide has a molecular weight of 1677.71 g/mol, XLogP of 21.95, 27 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-(3-methylbutyl)-3-(trifluoromethyl)benzamide;2,4-dichloro-N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-N-pentylbenzamide;2,4-dichloro-N-(2-methylpropyl)-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;4-fluoro-N,2-dimethyl-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide is sourced from PubChem (CID 157227143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).