4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

C105H128F11N33O12 — CID 165069282

About 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide

4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 165069282) has the molecular formula C105H128F11N33O12 and a molecular weight of 2262.43 g/mol. Its IUPAC name is 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• PubChem CID: 165069282
• Molecular Formula: C105H128F11N33O12
• Molecular Weight: 2262.43 g/mol
• Exact Mass: 2261.08
• IUPAC Name: 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
• SMILES: CNC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC#N)C1.CNC(=O)c1cnc2[nH]ccc2c1NN1CC[C@@H](C(=O)NCC(F)(F)F)C1.CNC(=O)c1cnc2[nH]ccc2c1NN1CC[C@H](C(=O)NCC(F)(F)F)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC#C)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)(F)F)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)F)C1
• InChI: InChI=1S/C19H23N5O2.C18H22F3N5O2.C18H23F2N5O2.C18H22N6O2.2C16H19F3N6O2/c1-3-4-7-16(25)13-6-5-10-24(12-13)23-17-14-8-9-21-18(14)22-11-15(17)19(26)20-2;1-22-17(28)13-9-24-16-12(5-7-23-16)15(13)25-26-8-2-3-11(10-26)14(27)4-6-18(19,20)21;1-21-18(27)13-9-23-17-12(6-7-22-17)16(13)24-25-8-2-3-11(10-25)14(26)4-5-15(19)20;1-20-18(26)14-10-22-17-13(6-8-21-17)16(14)23-24-9-3-4-12(11-24)15(25)5-2-7-19;2*1-20-15(27)11-6-22-13-10(2-4-21-13)12(11)24-25-5-3-9(7-25)14(26)23-8-16(17,18)19/h1,8-9,11,13H,4-7,10,12H2,2H3,(H,20,26)(H2,21,22,23);5,7,9,11H,2-4,6,8,10H2,1H3,(H,22,28)(H2,23,24,25);6-7,9,11,15H,2-5,8,10H2,1H3,(H,21,27)(H2,22,23,24);6,8,10,12H,2-5,9,11H2,1H3,(H,20,26)(H2,21,22,23);2*2,4,6,9H,3,5,7-8H2,1H3,(H,20,27)(H,23,26)(H2,21,22,24)/t13-;2*11-;12-;2*9-/m000010/s1/i2D3;2*1D3
• InChIKey: SMJGZUWFLXDHNB-IYOIYEBNSA-N
• XLogP: 11.73
• TPSA: 588.57 Ų
• H-Bond Donors: 20
• H-Bond Acceptors: 31
• Rotatable Bonds: 38
• Heavy Atoms: 161
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2262.43
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	20
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The IUPAC name of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide (CID 165069282) is 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide.

What is the SMILES notation for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The canonical SMILES for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is CNC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC#N)C1.CNC(=O)c1cnc2[nH]ccc2c1NN1CC[C@@H](C(=O)NCC(F)(F)F)C1.CNC(=O)c1cnc2[nH]ccc2c1NN1CC[C@H](C(=O)NCC(F)(F)F)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC#C)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)(F)F)C1.[2H]C([2H])([2H])NC(=O)c1cnc2[nH]ccc2c1NN1CCC[C@H](C(=O)CCC(F)F)C1.

What is the InChIKey of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

The InChIKey is SMJGZUWFLXDHNB-IYOIYEBNSA-N. The full InChI is InChI=1S/C19H23N5O2.C18H22F3N5O2.C18H23F2N5O2.C18H22N6O2.2C16H19F3N6O2/c1-3-4-7-16(25)13-6-5-10-24(12-13)23-17-14-8-9-21-18(14)22-11-15(17)19(26)20-2;1-22-17(28)13-9-24-16-12(5-7-23-16)15(13)25-26-8-2-3-11(10-26)14(27)4-6-18(19,20)21;1-21-18(27)13-9-23-17-12(6-7-22-17)16(13)24-25-8-2-3-11(10-25)14(26)4-5-15(19)20;1-20-18(26)14-10-22-17-13(6-8-21-17)16(14)23-24-9-3-4-12(11-24)15(25)5-2-7-19;2*1-20-15(27)11-6-22-13-10(2-4-21-13)12(11)24-25-5-3-9(7-25)14(26)23-8-16(17,18)19/h1,8-9,11,13H,4-7,10,12H2,2H3,(H,20,26)(H2,21,22,23);5,7,9,11H,2-4,6,8,10H2,1H3,(H,22,28)(H2,23,24,25);6-7,9,11,15H,2-5,8,10H2,1H3,(H,21,27)(H2,22,23,24);6,8,10,12H,2-5,9,11H2,1H3,(H,20,26)(H2,21,22,23);2*2,4,6,9H,3,5,7-8H2,1H3,(H,20,27)(H,23,26)(H2,21,22,24)/t13-;2*11-;12-;2*9-/m000010/s1/i2D3;2*1D3;;;.

What are the key properties of 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide?

4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 2262.43 g/mol, XLogP of 11.73, 38 rotatable bonds, 20 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(3S)-3-(3-cyanopropanoyl)piperidin-1-yl]amino]-N-methyl-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-(4,4-difluorobutanoyl)piperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3S)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-methyl-4-[[(3R)-3-(2,2,2-trifluoroethylcarbamoyl)pyrrolidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;4-[[(3S)-3-pent-4-ynoylpiperidin-1-yl]amino]-N-(trideuteriomethyl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide;N-(trideuteriomethyl)-4-[[(3S)-3-(4,4,4-trifluorobutanoyl)piperidin-1-yl]amino]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 165069282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).