N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C69H61Cl2F7N14O12 — CID 157133902

About N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 157133902) has the molecular formula C69H61Cl2F7N14O12 and a molecular weight of 1482.22 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 157133902
• Molecular Formula: C69H61Cl2F7N14O12
• Molecular Weight: 1482.22 g/mol
• Exact Mass: 1480.39
• IUPAC Name: N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: C#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1.CN(C)C(=O)c1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1
• InChI: InChI=1S/C24H24ClF2N5O4.C23H19ClF2N4O4.C22H18F3N5O4/c1-31(2)23(35)20-8-7-19(30-20)18-11-14(12-28-21(18)32-10-9-16(33)13-32)22(34)29-15-3-5-17(6-4-15)36-24(25,26)27;1-2-14-5-8-18(28-14)17-9-13(10-27-21(17)30-11-19(31)20(32)12-30)22(33)29-15-3-6-16(7-4-15)34-23(24,25)26;23-22(24,25)34-15-4-1-13(2-5-15)29-21(33)12-7-16(17-6-3-14(8-26)28-17)20(27-9-12)30-10-18(31)19(32)11-30/h3-8,11-12,16,30,33H,9-10,13H2,1-2H3,(H,29,34);1,3-10,19-20,28,31-32H,11-12H2,(H,29,33);1-7,9,18-19,28,31-32H,10-11H2,(H,29,33)/t16-;19-,20-;18-,19-/m100/s1
• InChIKey: AJJXCBHLIPUHNM-HSMFTZLYSA-N
• XLogP: 9.43
• TPSA: 356.00 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 19
• Rotatable Bonds: 18
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1482.22
LogP ≤ 5	9.43
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 157133902) is N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is C#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1.CN(C)C(=O)c1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cnc2N2CC[C@@H](O)C2)[nH]1.N#Cc1ccc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2C[C@H](O)[C@@H](O)C2)[nH]1.

What is the InChIKey of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is AJJXCBHLIPUHNM-HSMFTZLYSA-N. The full InChI is InChI=1S/C24H24ClF2N5O4.C23H19ClF2N4O4.C22H18F3N5O4/c1-31(2)23(35)20-8-7-19(30-20)18-11-14(12-28-21(18)32-10-9-16(33)13-32)22(34)29-15-3-5-17(6-4-15)36-24(25,26)27;1-2-14-5-8-18(28-14)17-9-13(10-27-21(17)30-11-19(31)20(32)12-30)22(33)29-15-3-6-16(7-4-15)34-23(24,25)26;23-22(24,25)34-15-4-1-13(2-5-15)29-21(33)12-7-16(17-6-3-14(8-26)28-17)20(27-9-12)30-10-18(31)19(32)11-30/h3-8,11-12,16,30,33H,9-10,13H2,1-2H3,(H,29,34);1,3-10,19-20,28,31-32H,11-12H2,(H,29,33);1-7,9,18-19,28,31-32H,10-11H2,(H,29,33)/t16-;19-,20-;18-,19-/m100/s1.

What are the key properties of N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 1482.22 g/mol, XLogP of 9.43, 18 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[chloro(difluoro)methoxy]phenyl]-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-5-(5-ethynyl-1H-pyrrol-2-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-[5-(dimethylcarbamoyl)-1H-pyrrol-2-yl]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide;5-(5-cyano-1H-pyrrol-2-yl)-6-[(3S,4S)-3,4-dihydroxypyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 157133902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).