N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide

C120H127N29O26 — CID 157441330

About N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide

N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide (PubChem CID 157441330) has the molecular formula C120H127N29O26 and a molecular weight of 2391.51 g/mol. Its IUPAC name is N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide
• PubChem CID: 157441330
• Molecular Formula: C120H127N29O26
• Molecular Weight: 2391.51 g/mol
• Exact Mass: 2389.95
• IUPAC Name: N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide
• SMILES: COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N(C)CCN)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CC4(CCNCC4)C3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CC4CNCC4C3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3OCCN)o1)C2
• InChI: InChI=1S/2C26H28N6O5.C25H26N6O5.C22H24N6O5.C21H21N5O6/c1-35-20-9-16-13-32(25(34)17(16)10-21(20)36-2)22-12-29-24(37-22)23(33)30-18-11-28-6-3-19(18)31-14-26(15-31)4-7-27-8-5-26;1-35-20-9-16-13-32(25(34)17(16)10-21(20)36-2)22-12-29-24(37-22)23(33)30-18-11-27-6-3-19(18)31-7-4-26(5-8-31)14-28-15-26;1-34-20-5-14-13-31(25(33)17(14)6-21(20)35-2)22-10-28-24(36-22)23(32)29-18-9-26-4-3-19(18)30-11-15-7-27-8-16(15)12-30;1-27(7-5-23)16-4-6-24-10-15(16)26-20(29)21-25-11-19(33-21)28-12-13-8-17(31-2)18(32-3)9-14(13)22(28)30;1-29-16-7-12-11-26(21(28)13(12)8-17(16)30-2)18-10-24-20(32-18)19(27)25-14-9-23-5-3-15(14)31-6-4-22/h3,6,9-12,27H,4-5,7-8,13-15H2,1-2H3,(H,30,33);3,6,9-12,28H,4-5,7-8,13-15H2,1-2H3,(H,30,33);3-6,9-10,15-16,27H,7-8,11-13H2,1-2H3,(H,29,32);4,6,8-11H,5,7,12,23H2,1-3H3,(H,26,29);3,5,7-10H,4,6,11,22H2,1-2H3,(H,25,27)
• InChIKey: BRSDQOFCONNADJ-UHFFFAOYSA-N
• XLogP: 11.27
• TPSA: 644.27 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 45
• Rotatable Bonds: 34
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2391.51
LogP ≤ 5	11.27
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	45

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide?

The IUPAC name of N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide (CID 157441330) is N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide.

What is the SMILES notation for N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide?

The canonical SMILES for N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide is COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N(C)CCN)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CC4(CCNCC4)C3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CC4CNCC4C3)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3N3CCC4(CC3)CNC4)o1)C2.COc1cc2c(cc1OC)C(=O)N(c1cnc(C(=O)Nc3cnccc3OCCN)o1)C2.

What is the InChIKey of N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide?

The InChIKey is BRSDQOFCONNADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H28N6O5.C25H26N6O5.C22H24N6O5.C21H21N5O6/c1-35-20-9-16-13-32(25(34)17(16)10-21(20)36-2)22-12-29-24(37-22)23(33)30-18-11-28-6-3-19(18)31-14-26(15-31)4-7-27-8-5-26;1-35-20-9-16-13-32(25(34)17(16)10-21(20)36-2)22-12-29-24(37-22)23(33)30-18-11-27-6-3-19(18)31-7-4-26(5-8-31)14-28-15-26;1-34-20-5-14-13-31(25(33)17(14)6-21(20)35-2)22-10-28-24(36-22)23(32)29-18-9-26-4-3-19(18)30-11-15-7-27-8-16(15)12-30;1-27(7-5-23)16-4-6-24-10-15(16)26-20(29)21-25-11-19(33-21)28-12-13-8-17(31-2)18(32-3)9-14(13)22(28)30;1-29-16-7-12-11-26(21(28)13(12)8-17(16)30-2)18-10-24-20(32-18)19(27)25-14-9-23-5-3-15(14)31-6-4-22/h3,6,9-12,27H,4-5,7-8,13-15H2,1-2H3,(H,30,33);3,6,9-12,28H,4-5,7-8,13-15H2,1-2H3,(H,30,33);3-6,9-10,15-16,27H,7-8,11-13H2,1-2H3,(H,29,32);4,6,8-11H,5,7,12,23H2,1-3H3,(H,26,29);3,5,7-10H,4,6,11,22H2,1-2H3,(H,25,27).

What are the key properties of N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide?

N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide has a molecular weight of 2391.51 g/mol, XLogP of 11.27, 34 rotatable bonds, 10 hydrogen bond donors, and 45 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2-aminoethoxy)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-[2-aminoethyl(methyl)amino]-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-2-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide;N-[4-(2,7-diazaspiro[3.5]nonan-7-yl)-3-pyridinyl]-5-(5,6-dimethoxy-3-oxo-1H-isoindol-2-yl)-1,3-oxazole-2-carboxamide is sourced from PubChem (CID 157441330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).