5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C113H105F5N26O13 — CID 157309879

About 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 157309879) has the molecular formula C113H105F5N26O13 and a molecular weight of 2130.24 g/mol. Its IUPAC name is 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• PubChem CID: 157309879
• Molecular Formula: C113H105F5N26O13
• Molecular Weight: 2130.24 g/mol
• Exact Mass: 2128.83
• IUPAC Name: 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
• SMILES: N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCCCC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCNC(=O)CC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCOCC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CC[C@@H](O)C3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC3CCCC3)[nH]c2cn1
• InChI: InChI=1S/C23H21FN6O3.2C23H22FN5O2.2C22H20FN5O3/c24-16-3-1-14(2-4-16)9-19(23(33)30-7-5-21(31)26-6-8-30)29-22(32)18-11-15-10-17(12-25)27-13-20(15)28-18;24-17-6-4-15(5-7-17)10-20(23(31)29-8-2-1-3-9-29)28-22(30)19-12-16-11-18(13-25)26-14-21(16)27-19;24-16-7-5-14(6-8-16)9-19(22(30)27-17-3-1-2-4-17)29-23(31)20-11-15-10-18(12-25)26-13-21(15)28-20;23-16-3-1-14(2-4-16)9-19(22(30)28-5-7-31-8-6-28)27-21(29)18-11-15-10-17(12-24)25-13-20(15)26-18;23-15-3-1-13(2-4-15)7-19(22(31)28-6-5-17(29)12-28)27-21(30)18-9-14-8-16(10-24)25-11-20(14)26-18/h1-4,10-11,13,19,28H,5-9H2,(H,26,31)(H,29,32);4-7,11-12,14,20,27H,1-3,8-10H2,(H,28,30);5-8,10-11,13,17,19,28H,1-4,9H2,(H,27,30)(H,29,31);1-4,10-11,13,19,26H,5-9H2,(H,27,29);1-4,8-9,11,17,19,26,29H,5-7,12H2,(H,27,30)/t19-;20-;2*19-;17-,19+/m00001/s1
• InChIKey: BCXKBSFCIFAGEC-RIHAQAMASA-N
• XLogP: 10.45
• TPSA: 576.75 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 23
• Rotatable Bonds: 26
• Heavy Atoms: 157
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2130.24
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 157309879) is 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCCCC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCNC(=O)CC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CCOCC3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)N3CC[C@@H](O)C3)[nH]c2cn1.N#Cc1cc2cc(C(=O)N[C@@H](Cc3ccc(F)cc3)C(=O)NC3CCCC3)[nH]c2cn1.

What is the InChIKey of 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

The InChIKey is BCXKBSFCIFAGEC-RIHAQAMASA-N. The full InChI is InChI=1S/C23H21FN6O3.2C23H22FN5O2.2C22H20FN5O3/c24-16-3-1-14(2-4-16)9-19(23(33)30-7-5-21(31)26-6-8-30)29-22(32)18-11-15-10-17(12-25)27-13-20(15)28-18;24-17-6-4-15(5-7-17)10-20(23(31)29-8-2-1-3-9-29)28-22(30)19-12-16-11-18(13-25)26-14-21(16)27-19;24-16-7-5-14(6-8-16)9-19(22(30)27-17-3-1-2-4-17)29-23(31)20-11-15-10-18(12-25)26-13-21(15)28-20;23-16-3-1-14(2-4-16)9-19(22(30)28-5-7-31-8-6-28)27-21(29)18-11-15-10-17(12-24)25-13-20(15)26-18;23-15-3-1-13(2-4-15)7-19(22(31)28-6-5-17(29)12-28)27-21(30)18-9-14-8-16(10-24)25-11-20(14)26-18/h1-4,10-11,13,19,28H,5-9H2,(H,26,31)(H,29,32);4-7,11-12,14,20,27H,1-3,8-10H2,(H,28,30);5-8,10-11,13,17,19,28H,1-4,9H2,(H,27,30)(H,29,31);1-4,10-11,13,19,26H,5-9H2,(H,27,29);1-4,8-9,11,17,19,26,29H,5-7,12H2,(H,27,30)/t19-;20-;2*19-;17-,19+/m00001/s1.

What are the key properties of 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?

5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 2130.24 g/mol, XLogP of 10.45, 26 rotatable bonds, 13 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyano-N-[(2S)-1-(cyclopentylamino)-3-(4-fluorophenyl)-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-morpholin-4-yl-1-oxopropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-(5-oxo-1,4-diazepan-1-yl)propan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide;5-cyano-N-[(2S)-3-(4-fluorophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 157309879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).