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

C126H125F6N27O7 — CID 162021751

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

N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (PubChem CID 162021751) has the molecular formula C126H125F6N27O7 and a molecular weight of 2243.56 g/mol. Its IUPAC name is N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

Molecular Properties

• Compound Name: N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• PubChem CID: 162021751
• Molecular Formula: C126H125F6N27O7
• Molecular Weight: 2243.56 g/mol
• Exact Mass: 2242.02
• IUPAC Name: N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide
• SMILES: CC(F)(F)c1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(F)c1.COCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccncc4)ccc3N)CC2)C1.Cc1cc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)ccc1F.Cc1cc(-c2ccc(N)c(NC(=O)c3cn4c(n3)CNCC4)c2)ccc1F.Cc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(F)c1.Nc1ccc(-c2cccnc2)cc1NC(=O)N1Cc2ccncc2C1
• InChI: InChI=1S/C23H31N5O2.C22H19F3N4O.2C21H19FN4O.C20H20FN5O.C19H17N5O/c1-30-15-14-27-11-6-23(17-27)7-12-28(13-8-23)22(29)26-21-16-19(2-3-20(21)24)18-4-9-25-10-5-18;1-22(24,25)16-3-4-17(18(23)9-16)13-2-5-19(26)20(8-13)28-21(30)29-11-14-6-7-27-10-15(14)12-29;1-13-8-14(2-4-18(13)22)15-3-5-19(23)20(9-15)25-21(27)26-11-16-6-7-24-10-17(16)12-26;1-13-2-4-17(18(22)8-13)14-3-5-19(23)20(9-14)25-21(27)26-11-15-6-7-24-10-16(15)12-26;1-12-8-13(2-4-15(12)21)14-3-5-16(22)17(9-14)25-20(27)18-11-26-7-6-23-10-19(26)24-18;20-17-4-3-13(14-2-1-6-21-9-14)8-18(17)23-19(25)24-11-15-5-7-22-10-16(15)12-24/h2-5,9-10,16H,6-8,11-15,17,24H2,1H3,(H,26,29);2-10H,11-12,26H2,1H3,(H,28,30);2*2-10H,11-12,23H2,1H3,(H,25,27);2-5,8-9,11,23H,6-7,10,22H2,1H3,(H,25,27);1-10H,11-12,20H2,(H,23,25)
• InChIKey: YUVJZJPPUUCSJO-UHFFFAOYSA-N
• XLogP: 23.29
• TPSA: 466.58 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2243.56
LogP ≤ 5	23.29
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

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)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide?

The IUPAC name of N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide (CID 162021751) is N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide.

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

The canonical SMILES for N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is CC(F)(F)c1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(F)c1.COCCN1CCC2(CCN(C(=O)Nc3cc(-c4ccncc4)ccc3N)CC2)C1.Cc1cc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)ccc1F.Cc1cc(-c2ccc(N)c(NC(=O)c3cn4c(n3)CNCC4)c2)ccc1F.Cc1ccc(-c2ccc(N)c(NC(=O)N3Cc4ccncc4C3)c2)c(F)c1.Nc1ccc(-c2cccnc2)cc1NC(=O)N1Cc2ccncc2C1.

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

The InChIKey is YUVJZJPPUUCSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N5O2.C22H19F3N4O.2C21H19FN4O.C20H20FN5O.C19H17N5O/c1-30-15-14-27-11-6-23(17-27)7-12-28(13-8-23)22(29)26-21-16-19(2-3-20(21)24)18-4-9-25-10-5-18;1-22(24,25)16-3-4-17(18(23)9-16)13-2-5-19(26)20(8-13)28-21(30)29-11-14-6-7-27-10-15(14)12-29;1-13-8-14(2-4-18(13)22)15-3-5-19(23)20(9-15)25-21(27)26-11-16-6-7-24-10-17(16)12-26;1-13-2-4-17(18(22)8-13)14-3-5-19(23)20(9-14)25-21(27)26-11-15-6-7-24-10-16(15)12-26;1-12-8-13(2-4-15(12)21)14-3-5-16(22)17(9-14)25-20(27)18-11-26-7-6-23-10-19(26)24-18;20-17-4-3-13(14-2-1-6-21-9-14)8-18(17)23-19(25)24-11-15-5-7-22-10-16(15)12-24/h2-5,9-10,16H,6-8,11-15,17,24H2,1H3,(H,26,29);2-10H,11-12,26H2,1H3,(H,28,30);2*2-10H,11-12,23H2,1H3,(H,25,27);2-5,8-9,11,23H,6-7,10,22H2,1H3,(H,25,27);1-10H,11-12,20H2,(H,23,25).

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

N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide has a molecular weight of 2243.56 g/mol, XLogP of 23.29, 17 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-amino-5-[4-(1,1-difluoroethyl)-2-fluorophenyl]phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(2-fluoro-4-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-[2-amino-5-(4-fluoro-3-methylphenyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide;N-(2-amino-5-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide;N-(2-amino-5-pyridin-4-ylphenyl)-2-(2-methoxyethyl)-2,8-diazaspiro[4.5]decane-8-carboxamide is sourced from PubChem (CID 162021751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).