N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

C109H111F4N21O7 — CID 157133523

About N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide

N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (PubChem CID 157133523) has the molecular formula C109H111F4N21O7 and a molecular weight of 1903.22 g/mol. Its IUPAC name is N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• PubChem CID: 157133523
• Molecular Formula: C109H111F4N21O7
• Molecular Weight: 1903.22 g/mol
• Exact Mass: 1901.89
• IUPAC Name: N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
• SMILES: CC(F)(F)c1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)cc1.COCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)CC2)C1.COc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)cc1.Cc1cc(-c2ccc(N)c(NC(=O)N3Cc4nccnc4C3)c2)ccc1F.Cc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(C)c1
• InChI: InChI=1S/C24H31FN4O2.C22H20F2N4O.C22H22N4O.C21H20N4O2.C20H18FN5O/c1-31-15-14-28-11-8-24(17-28)9-12-29(13-10-24)23(30)27-22-16-19(4-7-21(22)26)18-2-5-20(25)6-3-18;1-22(23,24)18-5-2-14(3-6-18)15-4-7-19(25)20(10-15)27-21(29)28-12-16-8-9-26-11-17(16)13-28;1-14-3-5-19(15(2)9-14)16-4-6-20(23)21(10-16)25-22(27)26-12-17-7-8-24-11-18(17)13-26;1-27-18-5-2-14(3-6-18)15-4-7-19(22)20(10-15)24-21(26)25-12-16-8-9-23-11-17(16)13-25;1-12-8-13(2-4-15(12)21)14-3-5-16(22)17(9-14)25-20(27)26-10-18-19(11-26)24-7-6-23-18/h2-7,16H,8-15,17,26H2,1H3,(H,27,30);2-11H,12-13,25H2,1H3,(H,27,29);3-11H,12-13,23H2,1-2H3,(H,25,27);2-11H,12-13,22H2,1H3,(H,24,26);2-9H,10-11,22H2,1H3,(H,25,27)
• InChIKey: AJISDZSKTFKAHI-UHFFFAOYSA-N
• XLogP: 21.13
• TPSA: 377.95 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 15
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1903.22
LogP ≤ 5	21.13
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The IUPAC name of N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide (CID 157133523) is N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide.

What is the SMILES notation for N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The canonical SMILES for N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is CC(F)(F)c1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)cc1.COCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccc(F)cc4)ccc3N)CC2)C1.COc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)cc1.Cc1cc(-c2ccc(N)c(NC(=O)N3Cc4nccnc4C3)c2)ccc1F.Cc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(C)c1.

What is the InChIKey of N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

The InChIKey is AJISDZSKTFKAHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FN4O2.C22H20F2N4O.C22H22N4O.C21H20N4O2.C20H18FN5O/c1-31-15-14-28-11-8-24(17-28)9-12-29(13-10-24)23(30)27-22-16-19(4-7-21(22)26)18-2-5-20(25)6-3-18;1-22(23,24)18-5-2-14(3-6-18)15-4-7-19(25)20(10-15)27-21(29)28-12-16-8-9-26-11-17(16)13-28;1-14-3-5-19(15(2)9-14)16-4-6-20(23)21(10-16)25-22(27)26-12-17-7-8-24-11-18(17)13-26;1-27-18-5-2-14(3-6-18)15-4-7-19(22)20(10-15)24-21(26)25-12-16-8-9-23-11-17(16)13-25;1-12-8-13(2-4-15(12)21)14-3-5-16(22)17(9-14)25-20(27)26-10-18-19(11-26)24-7-6-23-18/h2-7,16H,8-15,17,26H2,1H3,(H,27,30);2-11H,12-13,25H2,1H3,(H,27,29);3-11H,12-13,23H2,1-2H3,(H,25,27);2-11H,12-13,22H2,1H3,(H,24,26);2-9H,10-11,22H2,1H3,(H,25,27).

What are the key properties of N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide?

N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide has a molecular weight of 1903.22 g/mol, XLogP of 21.13, 15 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-[4-(1,1-difluoroethyl)phenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2,4-dimethylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,7-dihydropyrrolo[3,4-b]pyrazine-6-carboxamide;N-[2-amino-5-(4-fluorophenyl)phenyl]-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide;N-[2-amino-5-(4-methoxyphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide is sourced from PubChem (CID 157133523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).