1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

C137H137F10N18O11+ — CID 159894529

About 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide

1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (PubChem CID 159894529) has the molecular formula C137H137F10N18O11+ and a molecular weight of 2401.70 g/mol. Its IUPAC name is 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
• PubChem CID: 159894529
• Molecular Formula: C137H137F10N18O11+
• Molecular Weight: 2401.70 g/mol
• Exact Mass: 2400.05
• IUPAC Name: 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
• SMILES: CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)[n+]2cc(OC3CCCC3)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ncc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2nc(OC3CCCC3)ncc2n1Cc1ccccn1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)c(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2ccc(O)cn2c1C(=O)NCc1ccc(F)c(F)c1
• InChI: InChI=1S/C31H32F2N2O3.C29H30F2N4O2.C28H29F2N5O2.C26H24F2N2O2.C23H21F2N5O2/c1-19(2)29-23(14-20-8-4-3-5-9-20)26-16-28(38-22-10-6-7-11-22)27(36)18-35(26)30(29)31(37)34-17-21-12-13-24(32)25(33)15-21;1-19(2)27-28(29(36)33-16-20-10-12-24(30)25(31)15-20)35-18-23(37-22-8-3-4-9-22)11-13-26(35)34(27)17-21-7-5-6-14-32-21;1-17(2)26-24(27(36)32-14-18-10-11-21(29)22(30)13-18)25-23(35(26)16-19-7-5-6-12-31-19)15-33-28(34-25)37-20-8-3-4-9-20;1-16(2)24-20(12-17-6-4-3-5-7-17)23-11-9-19(31)15-30(23)25(24)26(32)29-14-18-8-10-21(27)22(28)13-18;1-13(2)21-19(22(31)27-10-14-6-7-16(24)17(25)9-14)20-18(11-28-23(32)29-20)30(21)12-15-5-3-4-8-26-15/h3-5,8-9,12-13,15-16,18-19,22,36H,6-7,10-11,14,17H2,1-2H3,(H,34,37);5-7,10-15,18-19,22H,3-4,8-9,16-17H2,1-2H3;5-7,10-13,15,17,20H,3-4,8-9,14,16H2,1-2H3,(H,32,36);3-11,13,15-16,31H,12,14H2,1-2H3,(H,29,32);3-9,11,13H,10,12H2,1-2H3,(H,27,31)(H,28,29,32)/p+1
• InChIKey: IPIHUIBHILGRKG-UHFFFAOYSA-O
• XLogP: 26.81
• TPSA: 351.56 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 36
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2401.70
LogP ≤ 5	26.81
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The IUPAC name of 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide (CID 159894529) is 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide.

What is the SMILES notation for 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The canonical SMILES for 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)[n+]2cc(OC3CCCC3)ccc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2[nH]c(=O)ncc2n1Cc1ccccn1.CC(C)c1c(C(=O)NCc2ccc(F)c(F)c2)c2nc(OC3CCCC3)ncc2n1Cc1ccccn1.CC(C)c1c(Cc2ccccc2)c2cc(OC3CCCC3)c(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.CC(C)c1c(Cc2ccccc2)c2ccc(O)cn2c1C(=O)NCc1ccc(F)c(F)c1.

What is the InChIKey of 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

The InChIKey is IPIHUIBHILGRKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C31H32F2N2O3.C29H30F2N4O2.C28H29F2N5O2.C26H24F2N2O2.C23H21F2N5O2/c1-19(2)29-23(14-20-8-4-3-5-9-20)26-16-28(38-22-10-6-7-11-22)27(36)18-35(26)30(29)31(37)34-17-21-12-13-24(32)25(33)15-21;1-19(2)27-28(29(36)33-16-20-10-12-24(30)25(31)15-20)35-18-23(37-22-8-3-4-9-22)11-13-26(35)34(27)17-21-7-5-6-14-32-21;1-17(2)26-24(27(36)32-14-18-10-11-21(29)22(30)13-18)25-23(35(26)16-19-7-5-6-12-31-19)15-33-28(34-25)37-20-8-3-4-9-20;1-16(2)24-20(12-17-6-4-3-5-7-17)23-11-9-19(31)15-30(23)25(24)26(32)29-14-18-8-10-21(27)22(28)13-18;1-13(2)21-19(22(31)27-10-14-6-7-16(24)17(25)9-14)20-18(11-28-23(32)29-20)30(21)12-15-5-3-4-8-26-15/h3-5,8-9,12-13,15-16,18-19,22,36H,6-7,10-11,14,17H2,1-2H3,(H,34,37);5-7,10-15,18-19,22H,3-4,8-9,16-17H2,1-2H3;5-7,10-13,15,17,20H,3-4,8-9,14,16H2,1-2H3,(H,32,36);3-11,13,15-16,31H,12,14H2,1-2H3,(H,29,32);3-9,11,13H,10,12H2,1-2H3,(H,27,31)(H,28,29,32)/p+1.

What are the key properties of 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide?

1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide has a molecular weight of 2401.70 g/mol, XLogP of 26.81, 36 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-7-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;1-benzyl-N-[(3,4-difluorophenyl)methyl]-6-hydroxy-2-propan-2-ylindolizine-3-carboxamide;6-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-2-propan-2-yl-1-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-4-ium-3-carboxamide;2-cyclopentyloxy-N-[(3,4-difluorophenyl)methyl]-6-propan-2-yl-5-(pyridin-2-ylmethyl)pyrrolo[3,2-d]pyrimidine-7-carboxamide;N-[(3,4-difluorophenyl)methyl]-2-oxo-6-propan-2-yl-5-(pyridin-2-ylmethyl)-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 159894529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).