N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

C123H156F3N23O13 — CID 159187500

About N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate

N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate (PubChem CID 159187500) has the molecular formula C123H156F3N23O13 and a molecular weight of 2221.74 g/mol. Its IUPAC name is N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate.

Molecular Properties

• Compound Name: N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
• PubChem CID: 159187500
• Molecular Formula: C123H156F3N23O13
• Molecular Weight: 2221.74 g/mol
• Exact Mass: 2220.22
• IUPAC Name: N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate
• SMILES: CC1(OC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)CCC1.CC1=NN(c2ccc(F)cc2)C(C)C1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CCC1(CCNC(=O)C(F)(F)c2ccccc2)CC1CNC(=O)N1Cc2ccncc2C1.CCC1(CCNC(=O)CCN2CCCCC2)CC1CNC(=O)N1Cc2ccncc2C1.Cc1nn(C(C)C)c(C)c1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1
• InChI: InChI=1S/C28H30FN5O3.C25H31N5O3.C24H28F2N4O2.C24H37N5O2.C22H30N4O3/c1-17-25(18(2)34(32-17)22-5-3-21(29)4-6-22)27(36)33-11-8-28(9-12-33)14-20(28)15-31-26(35)23-13-19-7-10-30-16-24(19)37-23;1-15(2)30-17(4)22(16(3)28-30)24(32)29-9-6-25(7-10-29)12-19(25)13-27-23(31)20-11-18-5-8-26-14-21(18)33-20;1-2-23(9-11-28-21(31)24(25,26)19-6-4-3-5-7-19)12-20(23)14-29-22(32)30-15-17-8-10-27-13-18(17)16-30;1-2-24(8-10-26-22(30)7-13-28-11-4-3-5-12-28)14-21(24)16-27-23(31)29-17-19-6-9-25-15-20(19)18-29;1-21(4-2-5-21)29-20(28)25-9-6-22(7-10-25)11-18(22)13-24-19(27)26-14-16-3-8-23-12-17(16)15-26/h3-7,10,13,16,18,20,25H,8-9,11-12,14-15H2,1-2H3,(H,31,35);5,8,11,14-15,19H,6-7,9-10,12-13H2,1-4H3,(H,27,31);3-8,10,13,20H,2,9,11-12,14-16H2,1H3,(H,28,31)(H,29,32);6,9,15,21H,2-5,7-8,10-14,16-18H2,1H3,(H,26,30)(H,27,31);3,8,12,18H,2,4-7,9-11,13-15H2,1H3,(H,24,27)
• InChIKey: KNRDFESAYHFCNL-UHFFFAOYSA-N
• XLogP: 18.14
• TPSA: 410.97 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2221.74
LogP ≤ 5	18.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?

The IUPAC name of N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate (CID 159187500) is N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate.

What is the SMILES notation for N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?

The canonical SMILES for N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate is CC1(OC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)CCC1.CC1=NN(c2ccc(F)cc2)C(C)C1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.CCC1(CCNC(=O)C(F)(F)c2ccccc2)CC1CNC(=O)N1Cc2ccncc2C1.CCC1(CCNC(=O)CCN2CCCCC2)CC1CNC(=O)N1Cc2ccncc2C1.Cc1nn(C(C)C)c(C)c1C(=O)N1CCC2(CC1)CC2CNC(=O)c1cc2ccncc2o1.

What is the InChIKey of N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?

The InChIKey is KNRDFESAYHFCNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30FN5O3.C25H31N5O3.C24H28F2N4O2.C24H37N5O2.C22H30N4O3/c1-17-25(18(2)34(32-17)22-5-3-21(29)4-6-22)27(36)33-11-8-28(9-12-33)14-20(28)15-31-26(35)23-13-19-7-10-30-16-24(19)37-23;1-15(2)30-17(4)22(16(3)28-30)24(32)29-9-6-25(7-10-29)12-19(25)13-27-23(31)20-11-18-5-8-26-14-21(18)33-20;1-2-23(9-11-28-21(31)24(25,26)19-6-4-3-5-7-19)12-20(23)14-29-22(32)30-15-17-8-10-27-13-18(17)16-30;1-2-24(8-10-26-22(30)7-13-28-11-4-3-5-12-28)14-21(24)16-27-23(31)29-17-19-6-9-25-15-20(19)18-29;1-21(4-2-5-21)29-20(28)25-9-6-22(7-10-25)11-18(22)13-24-19(27)26-14-16-3-8-23-12-17(16)15-26/h3-7,10,13,16,18,20,25H,8-9,11-12,14-15H2,1-2H3,(H,31,35);5,8,11,14-15,19H,6-7,9-10,12-13H2,1-4H3,(H,27,31);3-8,10,13,20H,2,9,11-12,14-16H2,1H3,(H,28,31)(H,29,32);6,9,15,21H,2-5,7-8,10-14,16-18H2,1H3,(H,26,30)(H,27,31);3,8,12,18H,2,4-7,9-11,13-15H2,1H3,(H,24,27).

What are the key properties of N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate?

N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate has a molecular weight of 2221.74 g/mol, XLogP of 18.14, 30 rotatable bonds, 7 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-[(2,2-difluoro-2-phenylacetyl)amino]ethyl]-2-ethylcyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(3,5-dimethyl-1-propan-2-ylpyrazole-4-carbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;N-[[2-ethyl-2-[2-(3-piperidin-1-ylpropanoylamino)ethyl]cyclopropyl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(4-fluorophenyl)-3,5-dimethyl-3,4-dihydropyrazole-4-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]furo[2,3-c]pyridine-2-carboxamide;(1-methylcyclobutyl) 2-[(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonylamino)methyl]-6-azaspiro[2.5]octane-6-carboxylate is sourced from PubChem (CID 159187500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).