N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

C64H70F6N12O9 — CID 122673949

About N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide

N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 122673949) has the molecular formula C64H70F6N12O9 and a molecular weight of 1265.33 g/mol. Its IUPAC name is N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 122673949
• Molecular Formula: C64H70F6N12O9
• Molecular Weight: 1265.33 g/mol
• Exact Mass: 1264.53
• IUPAC Name: N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
• SMILES: C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NC4CCCC(F)(F)C4)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCCC(F)(F)F)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCc4cccc(F)c4)c3c2)CC1
• InChI: InChI=1S/C23H23FN4O3.C22H26F2N4O3.C19H21F3N4O3/c1-2-21(29)28-8-6-17(7-9-28)31-18-11-19-20(14-26-22(19)25-13-18)23(30)27-12-15-4-3-5-16(24)10-15;1-2-19(29)28-8-5-15(6-9-28)31-16-10-17-18(13-26-20(17)25-12-16)21(30)27-14-4-3-7-22(23,24)11-14;1-2-16(27)26-7-3-12(4-8-26)29-13-9-14-15(11-25-17(14)24-10-13)18(28)23-6-5-19(20,21)22/h2-5,10-11,13-14,17H,1,6-9,12H2,(H,25,26)(H,27,30);2,10,12-15H,1,3-9,11H2,(H,25,26)(H,27,30);2,9-12H,1,3-8H2,(H,23,28)(H,24,25)
• InChIKey: RAQQNQNSCHDMAW-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 261.96 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 12
• Rotatable Bonds: 17
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1265.33
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide (CID 122673949) is N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NC4CCCC(F)(F)C4)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCCC(F)(F)F)c3c2)CC1.C=CC(=O)N1CCC(Oc2cnc3[nH]cc(C(=O)NCc4cccc(F)c4)c3c2)CC1.

What is the InChIKey of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

The InChIKey is RAQQNQNSCHDMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3.C22H26F2N4O3.C19H21F3N4O3/c1-2-21(29)28-8-6-17(7-9-28)31-18-11-19-20(14-26-22(19)25-13-18)23(30)27-12-15-4-3-5-16(24)10-15;1-2-19(29)28-8-5-15(6-9-28)31-16-10-17-18(13-26-20(17)25-12-16)21(30)27-14-4-3-7-22(23,24)11-14;1-2-16(27)26-7-3-12(4-8-26)29-13-9-14-15(11-25-17(14)24-10-13)18(28)23-6-5-19(20,21)22/h2-5,10-11,13-14,17H,1,6-9,12H2,(H,25,26)(H,27,30);2,10,12-15H,1,3-9,11H2,(H,25,26)(H,27,30);2,9-12H,1,3-8H2,(H,23,28)(H,24,25).

What are the key properties of N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide?

N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1265.33 g/mol, XLogP of 9.42, 17 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,3-difluorocyclohexyl)-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;N-[(3-fluorophenyl)methyl]-5-(1-prop-2-enoylpiperidin-4-yl)oxy-1H-pyrrolo[2,3-b]pyridine-3-carboxamide;5-(1-prop-2-enoylpiperidin-4-yl)oxy-N-(3,3,3-trifluoropropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 122673949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).