6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C102H91ClF15N27O13 — CID 158304871

About 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158304871) has the molecular formula C102H91ClF15N27O13 and a molecular weight of 2223.45 g/mol. Its IUPAC name is 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• PubChem CID: 158304871
• Molecular Formula: C102H91ClF15N27O13
• Molecular Weight: 2223.45 g/mol
• Exact Mass: 2221.67
• IUPAC Name: 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
• SMILES: N#Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCCC2)[nH]n1.N[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C[C@@H]1O.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2cc(CO)[nH]n2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2C[C@H](O)[C@@H](F)C2)c(-c2ccn[nH]2)c1
• InChI: InChI=1S/C21H17F3N6O2.C21H20F3N5O3.C20H19ClF2N6O3.C20H17F4N5O3.C20H18F3N5O2/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-9-17(18-10-15(11-25)28-29-18)19(26-12-13)30-7-1-2-8-30;22-21(23,24)32-16-5-3-14(4-6-16)26-20(31)13-9-17(18-10-15(12-30)27-28-18)19(25-11-13)29-7-1-2-8-29;21-20(22,23)32-13-3-1-12(2-4-13)27-19(31)11-7-14(16-5-6-26-28-16)18(25-8-11)29-9-15(24)17(30)10-29;21-15-9-29(10-17(15)30)18-14(16-5-6-26-28-16)7-11(8-25-18)19(31)27-12-1-3-13(4-2-12)32-20(22,23)24;21-20(22,23)30-15-5-3-14(4-6-15)26-19(29)13-11-16(17-7-8-25-27-17)18(24-12-13)28-9-1-2-10-28/h3-6,9-10,12H,1-2,7-8H2,(H,27,31)(H,28,29);3-6,9-11,30H,1-2,7-8,12H2,(H,26,31)(H,27,28);1-8,15,17,30H,9-10,24H2,(H,26,28)(H,27,31);1-8,15,17,30H,9-10H2,(H,26,28)(H,27,31);3-8,11-12H,1-2,9-10H2,(H,25,27)(H,26,29)/t;;2*15-,17-;/m..00./s1
• InChIKey: GMYLIFBOIFEYLI-UGVQYCJKSA-N
• XLogP: 17.57
• TPSA: 526.20 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 30
• Rotatable Bonds: 27
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2223.45
LogP ≤ 5	17.57
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The IUPAC name of 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 158304871) is 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The canonical SMILES for 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is N#Cc1cc(-c2cc(C(=O)Nc3ccc(OC(F)(F)F)cc3)cnc2N2CCCC2)[nH]n1.N[C@H]1CN(c2ncc(C(=O)Nc3ccc(OC(F)(F)Cl)cc3)cc2-c2ccn[nH]2)C[C@@H]1O.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2cc(CO)[nH]n2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCCC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2C[C@H](O)[C@@H](F)C2)c(-c2ccn[nH]2)c1.

What is the InChIKey of 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

The InChIKey is GMYLIFBOIFEYLI-UGVQYCJKSA-N. The full InChI is InChI=1S/C21H17F3N6O2.C21H20F3N5O3.C20H19ClF2N6O3.C20H17F4N5O3.C20H18F3N5O2/c22-21(23,24)32-16-5-3-14(4-6-16)27-20(31)13-9-17(18-10-15(11-25)28-29-18)19(26-12-13)30-7-1-2-8-30;22-21(23,24)32-16-5-3-14(4-6-16)26-20(31)13-9-17(18-10-15(12-30)27-28-18)19(25-11-13)29-7-1-2-8-29;21-20(22,23)32-13-3-1-12(2-4-13)27-19(31)11-7-14(16-5-6-26-28-16)18(25-8-11)29-9-15(24)17(30)10-29;21-15-9-29(10-17(15)30)18-14(16-5-6-26-28-16)7-11(8-25-18)19(31)27-12-1-3-13(4-2-12)32-20(22,23)24;21-20(22,23)30-15-5-3-14(4-6-15)26-19(29)13-11-16(17-7-8-25-27-17)18(24-12-13)28-9-1-2-10-28/h3-6,9-10,12H,1-2,7-8H2,(H,27,31)(H,28,29);3-6,9-11,30H,1-2,7-8,12H2,(H,26,31)(H,27,28);1-8,15,17,30H,9-10,24H2,(H,26,28)(H,27,31);1-8,15,17,30H,9-10H2,(H,26,28)(H,27,31);3-8,11-12H,1-2,9-10H2,(H,25,27)(H,26,29)/t;;2*15-,17-;/m..00./s1.

What are the key properties of 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?

6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 2223.45 g/mol, XLogP of 17.57, 27 rotatable bonds, 14 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(3S,4S)-3-amino-4-hydroxypyrrolidin-1-yl]-N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;5-(3-cyano-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;6-[(3S,4S)-3-fluoro-4-hydroxypyrrolidin-1-yl]-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-[5-(hydroxymethyl)-1H-pyrazol-3-yl]-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;5-(1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 158304871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).