tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C112H150F3N23O11S — CID 158768911

About tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 158768911) has the molecular formula C112H150F3N23O11S and a molecular weight of 2083.64 g/mol. Its IUPAC name is tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• PubChem CID: 158768911
• Molecular Formula: C112H150F3N23O11S
• Molecular Weight: 2083.64 g/mol
• Exact Mass: 2082.16
• IUPAC Name: tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• SMILES: CC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1(C)CC1C(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1C=CC(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)=CN1.CCN(CCC1CC1CNC(=O)NCc1ccc2nccn2c1)C(=O)OC(C)(C)C.Cc1nc(C(F)(F)F)c(C(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)s1
• InChI: InChI=1S/C24H31N5O2.C22H24F3N5O2S.C22H33N5O3.C22H30N4O2.C22H32N4O2/c1-17-2-3-18(12-26-17)10-22(30)28-8-5-24(6-9-28)11-21(24)14-27-23(31)29-15-19-4-7-25-13-20(19)16-29;1-13-28-18(22(23,24)25)17(33-13)19(31)29-6-3-21(4-7-29)8-16(21)10-27-20(32)30-11-14-2-5-26-9-15(14)12-30;1-5-26(21(29)30-22(2,3)4)10-8-17-12-18(17)14-25-20(28)24-13-16-6-7-19-23-9-11-27(19)15-16;1-21(2)10-18(21)19(27)25-7-4-22(5-8-25)9-17(22)12-24-20(28)26-13-15-3-6-23-11-16(15)14-26;1-21(2,3)11-19(27)25-8-5-22(6-9-25)10-18(22)13-24-20(28)26-14-16-4-7-23-12-17(16)15-26/h2-4,7,12-13,17,21,26H,5-6,8-11,14-16H2,1H3,(H,27,31);2,5,9,16H,3-4,6-8,10-12H2,1H3,(H,27,32);6-7,9,11,15,17-18H,5,8,10,12-14H2,1-4H3,(H2,24,25,28);3,6,11,17-18H,4-5,7-10,12-14H2,1-2H3,(H,24,28);4,7,12,18H,5-6,8-11,13-15H2,1-3H3,(H,24,28)
• InChIKey: IPPSWHDQSKZSHR-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 375.05 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 21
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2083.64
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The IUPAC name of tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 158768911) is tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

What is the SMILES notation for tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The canonical SMILES for tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CC(C)(C)CC(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1(C)CC1C(=O)N1CCC2(CC1)CC2CNC(=O)N1Cc2ccncc2C1.CC1C=CC(CC(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)=CN1.CCN(CCC1CC1CNC(=O)NCc1ccc2nccn2c1)C(=O)OC(C)(C)C.Cc1nc(C(F)(F)F)c(C(=O)N2CCC3(CC2)CC3CNC(=O)N2Cc3ccncc3C2)s1.

What is the InChIKey of tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The InChIKey is IPPSWHDQSKZSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2.C22H24F3N5O2S.C22H33N5O3.C22H30N4O2.C22H32N4O2/c1-17-2-3-18(12-26-17)10-22(30)28-8-5-24(6-9-28)11-21(24)14-27-23(31)29-15-19-4-7-25-13-20(19)16-29;1-13-28-18(22(23,24)25)17(33-13)19(31)29-6-3-21(4-7-29)8-16(21)10-27-20(32)30-11-14-2-5-26-9-15(14)12-30;1-5-26(21(29)30-22(2,3)4)10-8-17-12-18(17)14-25-20(28)24-13-16-6-7-19-23-9-11-27(19)15-16;1-21(2)10-18(21)19(27)25-7-4-22(5-8-25)9-17(22)12-24-20(28)26-13-15-3-6-23-11-16(15)14-26;1-21(2,3)11-19(27)25-8-5-22(6-9-25)10-18(22)13-24-20(28)26-14-16-4-7-23-12-17(16)15-26/h2-4,7,12-13,17,21,26H,5-6,8-11,14-16H2,1H3,(H,27,31);2,5,9,16H,3-4,6-8,10-12H2,1H3,(H,27,32);6-7,9,11,15,17-18H,5,8,10,12-14H2,1-4H3,(H2,24,25,28);3,6,11,17-18H,4-5,7-10,12-14H2,1-2H3,(H,24,28);4,7,12,18H,5-6,8-11,13-15H2,1-3H3,(H,24,28).

What are the key properties of tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 2083.64 g/mol, XLogP of 15.76, 21 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-ethyl-N-[2-[2-[(imidazo[1,2-a]pyridin-6-ylmethylcarbamoylamino)methyl]cyclopropyl]ethyl]carbamate;N-[[6-(3,3-dimethylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-(2,2-dimethylcyclopropanecarbonyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-(2-methyl-1,2-dihydropyridin-5-yl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[[6-[2-methyl-4-(trifluoromethyl)-1,3-thiazole-5-carbonyl]-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 158768911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).