N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide

C134H139F4N29O13 — CID 159847367

About N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide

N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 159847367) has the molecular formula C134H139F4N29O13 and a molecular weight of 2439.77 g/mol. Its IUPAC name is N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
• PubChem CID: 159847367
• Molecular Formula: C134H139F4N29O13
• Molecular Weight: 2439.77 g/mol
• Exact Mass: 2438.10
• IUPAC Name: N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)ccc1F.C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)ccc1N1CCN(C)CC1.C=CC(=O)Nc1cc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)ccc1OCCOC.C=CC(=O)Nc1cccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)c1
• InChI: InChI=1S/C30H35N7O2.C27H30N6O4.C26H24F3N5O2.C26H26N6O3.C25H24FN5O2/c1-3-27(38)34-25-16-20(5-6-26(25)37-13-11-36(2)12-14-37)23-15-21(7-10-32-23)24-17-22-28(35-24)30(19-33-29(22)39)8-4-9-31-18-30;1-3-23(34)31-21-13-17(5-6-22(21)37-12-11-36-2)25-29-10-7-19(33-25)20-14-18-24(32-20)27(16-30-26(18)35)8-4-9-28-15-27;1-2-22(35)33-18-9-16(8-17(11-18)26(27,28)29)20-10-15(4-7-31-20)21-12-19-23(34-21)25(14-32-24(19)36)5-3-6-30-13-25;1-2-22(33)30-18-6-3-5-17(11-18)24(34)32-21-12-16(7-10-28-21)20-13-19-23(31-20)26(15-29-25(19)35)8-4-9-27-14-26;1-2-22(32)30-21-11-15(4-5-18(21)26)19-10-16(6-9-28-19)20-12-17-23(31-20)25(14-29-24(17)33)7-3-8-27-13-25/h3,5-7,10,15-17,31,35H,1,4,8-9,11-14,18-19H2,2H3,(H,33,39)(H,34,38);3,5-7,10,13-14,28,32H,1,4,8-9,11-12,15-16H2,2H3,(H,30,35)(H,31,34);2,4,7-12,30,34H,1,3,5-6,13-14H2,(H,32,36)(H,33,35);2-3,5-7,10-13,27,31H,1,4,8-9,14-15H2,(H,29,35)(H,30,33)(H,28,32,34);2,4-6,9-12,27,31H,1,3,7-8,13-14H2,(H,29,33)(H,30,32)
• InChIKey: NPMDGECOOKTUON-UHFFFAOYSA-N
• XLogP: 16.08
• TPSA: 561.48 Ų
• H-Bond Donors: 21
• H-Bond Acceptors: 26
• Rotatable Bonds: 26
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2439.77
LogP ≤ 5	16.08
H-Bond Donors ≤ 5	21
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The IUPAC name of N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 159847367) is N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide.

What is the SMILES notation for N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The canonical SMILES for N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)ccc1F.C=CC(=O)Nc1cc(-c2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)ccc1N1CCN(C)CC1.C=CC(=O)Nc1cc(-c2nccc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)n2)ccc1OCCOC.C=CC(=O)Nc1cccc(C(=O)Nc2cc(-c3cc4c([nH]3)C3(CCCNC3)CNC4=O)ccn2)c1.

What is the InChIKey of N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

The InChIKey is NPMDGECOOKTUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N7O2.C27H30N6O4.C26H24F3N5O2.C26H26N6O3.C25H24FN5O2/c1-3-27(38)34-25-16-20(5-6-26(25)37-13-11-36(2)12-14-37)23-15-21(7-10-32-23)24-17-22-28(35-24)30(19-33-29(22)39)8-4-9-31-18-30;1-3-23(34)31-21-13-17(5-6-22(21)37-12-11-36-2)25-29-10-7-19(33-25)20-14-18-24(32-20)27(16-30-26(18)35)8-4-9-28-15-27;1-2-22(35)33-18-9-16(8-17(11-18)26(27,28)29)20-10-15(4-7-31-20)21-12-19-23(34-21)25(14-32-24(19)36)5-3-6-30-13-25;1-2-22(33)30-18-6-3-5-17(11-18)24(34)32-21-12-16(7-10-28-21)20-13-19-23(31-20)26(15-29-25(19)35)8-4-9-27-14-26;1-2-22(32)30-21-11-15(4-5-18(21)26)19-10-16(6-9-28-19)20-12-17-23(31-20)25(14-29-24(17)33)7-3-8-27-13-25/h3,5-7,10,15-17,31,35H,1,4,8-9,11-14,18-19H2,2H3,(H,33,39)(H,34,38);3,5-7,10,13-14,28,32H,1,4,8-9,11-12,15-16H2,2H3,(H,30,35)(H,31,34);2,4,7-12,30,34H,1,3,5-6,13-14H2,(H,32,36)(H,33,35);2-3,5-7,10-13,27,31H,1,4,8-9,14-15H2,(H,29,35)(H,30,33)(H,28,32,34);2,4-6,9-12,27,31H,1,3,7-8,13-14H2,(H,29,33)(H,30,32).

What are the key properties of N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide?

N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2439.77 g/mol, XLogP of 16.08, 26 rotatable bonds, 21 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[2-(2-methoxyethoxy)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)pyrimidin-2-yl]phenyl]prop-2-enamide;N-[2-(4-methylpiperazin-1-yl)-5-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]phenyl]prop-2-enamide;N-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-3-(prop-2-enoylamino)benzamide;N-[3-[4-(4-oxospiro[5,6-dihydro-1H-pyrrolo[3,2-c]pyridine-7,3'-piperidine]-2-yl)-2-pyridinyl]-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 159847367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).