N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

C119H144F2N20O7 — CID 159323376

About N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide

N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (PubChem CID 159323376) has the molecular formula C119H144F2N20O7 and a molecular weight of 2004.59 g/mol. Its IUPAC name is N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.

Molecular Properties

• Compound Name: N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
• PubChem CID: 159323376
• Molecular Formula: C119H144F2N20O7
• Molecular Weight: 2004.59 g/mol
• Exact Mass: 2003.15
• IUPAC Name: N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide
• SMILES: C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc2c(c1)OCO2.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(C)ccc1C.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(F)c1.Cc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)cc1F.Cc1ccc(C)c(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)c1
• InChI: InChI=1S/C26H34N4O.C25H31FN4O.C25H32N4O.C22H22N4O3.C21H25FN4O/c1-4-5-8-16-29(26(31)22-17-19(2)13-14-20(22)3)18-24-28-23-12-9-15-27-25(23)30(24)21-10-6-7-11-21;1-17(2)12-14-29(25(31)19-11-10-18(3)21(26)15-19)16-23-28-22-9-6-13-27-24(22)30(23)20-7-4-5-8-20;1-17(2)15-28(25(30)21-14-18(3)11-12-19(21)4)16-23-27-22-10-7-13-26-24(22)29(23)20-8-5-6-9-20;1-2-10-25(22(27)16-7-8-18-19(11-16)29-14-28-18)13-20-24-17-4-3-9-23-21(17)26(20)12-15-5-6-15;1-3-5-13-25(21(27)16-8-6-9-17(22)14-16)15-19-24-18-10-7-11-23-20(18)26(19)12-4-2/h9,12-15,17,21H,4-8,10-11,16,18H2,1-3H3;6,9-11,13,15,17,20H,4-5,7-8,12,14,16H2,1-3H3;7,10-14,17,20H,5-6,8-9,15-16H2,1-4H3;2-4,7-9,11,15H,1,5-6,10,12-14H2;6-11,14H,3-5,12-13,15H2,1-2H3
• InChIKey: LEAXZZYGVMKUIF-UHFFFAOYSA-N
• XLogP: 24.96
• TPSA: 273.56 Ų
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2004.59
LogP ≤ 5	24.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The IUPAC name of N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide (CID 159323376) is N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide.

What is the SMILES notation for N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The canonical SMILES for N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is C=CCN(Cc1nc2cccnc2n1CC1CC1)C(=O)c1ccc2c(c1)OCO2.CCCCCN(Cc1nc2cccnc2n1C1CCCC1)C(=O)c1cc(C)ccc1C.CCCCN(Cc1nc2cccnc2n1CCC)C(=O)c1cccc(F)c1.Cc1ccc(C(=O)N(CCC(C)C)Cc2nc3cccnc3n2C2CCCC2)cc1F.Cc1ccc(C)c(C(=O)N(Cc2nc3cccnc3n2C2CCCC2)CC(C)C)c1.

What is the InChIKey of N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

The InChIKey is LEAXZZYGVMKUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O.C25H31FN4O.C25H32N4O.C22H22N4O3.C21H25FN4O/c1-4-5-8-16-29(26(31)22-17-19(2)13-14-20(22)3)18-24-28-23-12-9-15-27-25(23)30(24)21-10-6-7-11-21;1-17(2)12-14-29(25(31)19-11-10-18(3)21(26)15-19)16-23-28-22-9-6-13-27-24(22)30(23)20-7-4-5-8-20;1-17(2)15-28(25(30)21-14-18(3)11-12-19(21)4)16-23-27-22-10-7-13-26-24(22)29(23)20-8-5-6-9-20;1-2-10-25(22(27)16-7-8-18-19(11-16)29-14-28-18)13-20-24-17-4-3-9-23-21(17)26(20)12-15-5-6-15;1-3-5-13-25(21(27)16-8-6-9-17(22)14-16)15-19-24-18-10-7-11-23-20(18)26(19)12-4-2/h9,12-15,17,21H,4-8,10-11,16,18H2,1-3H3;6,9-11,13,15,17,20H,4-5,7-8,12,14,16H2,1-3H3;7,10-14,17,20H,5-6,8-9,15-16H2,1-4H3;2-4,7-9,11,15H,1,5-6,10,12-14H2;6-11,14H,3-5,12-13,15H2,1-2H3.

What are the key properties of N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide?

N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide has a molecular weight of 2004.59 g/mol, XLogP of 24.96, 36 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-butyl-3-fluoro-N-[(3-propylimidazo[4,5-b]pyridin-2-yl)methyl]benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-(2-methylpropyl)benzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-2,5-dimethyl-N-pentylbenzamide;N-[(3-cyclopentylimidazo[4,5-b]pyridin-2-yl)methyl]-3-fluoro-4-methyl-N-(3-methylbutyl)benzamide;N-[[3-(cyclopropylmethyl)imidazo[4,5-b]pyridin-2-yl]methyl]-N-prop-2-enyl-1,3-benzodioxole-5-carboxamide is sourced from PubChem (CID 159323376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).