(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid

C102H107Cl2FI2N12O13 — CID 158755799

About (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid

(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 158755799) has the molecular formula C102H107Cl2FI2N12O13 and a molecular weight of 2052.76 g/mol. Its IUPAC name is (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

• Compound Name: (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
• PubChem CID: 158755799
• Molecular Formula: C102H107Cl2FI2N12O13
• Molecular Weight: 2052.76 g/mol
• Exact Mass: 2050.55
• IUPAC Name: (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid
• SMILES: Fc1ccccn1.Ic1cccc(Oc2ccccn2)c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)[C@@H]1CCN(c2cccc(Oc3ccccn3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)[C@H]1CCN(c2cccc(Oc3ccccn3)c2)C1.O=C(O)C1CCN(c2cccc(Oc3ccccn3)c2)C1.Oc1cccc(I)c1
• InChI: InChI=1S/2C32H37ClN4O4.C16H16N2O3.C11H8INO.C6H5IO.C5H4FN/c2*33-27-18-22(9-12-29(27)40-25-10-11-25)31(38)28(21-36-15-3-4-16-36)35-32(39)23-13-17-37(20-23)24-6-5-7-26(19-24)41-30-8-1-2-14-34-30;19-16(20)12-7-9-18(11-12)13-4-3-5-14(10-13)21-15-6-1-2-8-17-15;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11;7-5-2-1-3-6(8)4-5;6-5-3-1-2-4-7-5/h2*1-2,5-9,12,14,18-19,23,25,28,31,38H,3-4,10-11,13,15-17,20-21H2,(H,35,39);1-6,8,10,12H,7,9,11H2,(H,19,20);1-8H;1-4,8H;1-4H/t23-,28+,31+;23-,28-,31-;;;;/m01..../s1
• InChIKey: IOBGALDGUFKCKD-JYXZHGDWSA-N
• XLogP: 19.90
• TPSA: 292.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2052.76
LogP ≤ 5	19.90
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?

The IUPAC name of (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid (CID 158755799) is (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid.

What is the SMILES notation for (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?

The canonical SMILES for (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid is Fc1ccccn1.Ic1cccc(Oc2ccccn2)c1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)[C@@H]1CCN(c2cccc(Oc3ccccn3)c2)C1.O=C(N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1)[C@H]1CCN(c2cccc(Oc3ccccn3)c2)C1.O=C(O)C1CCN(c2cccc(Oc3ccccn3)c2)C1.Oc1cccc(I)c1.

What is the InChIKey of (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?

The InChIKey is IOBGALDGUFKCKD-JYXZHGDWSA-N. The full InChI is InChI=1S/2C32H37ClN4O4.C16H16N2O3.C11H8INO.C6H5IO.C5H4FN/c2*33-27-18-22(9-12-29(27)40-25-10-11-25)31(38)28(21-36-15-3-4-16-36)35-32(39)23-13-17-37(20-23)24-6-5-7-26(19-24)41-30-8-1-2-14-34-30;19-16(20)12-7-9-18(11-12)13-4-3-5-14(10-13)21-15-6-1-2-8-17-15;12-9-4-3-5-10(8-9)14-11-6-1-2-7-13-11;7-5-2-1-3-6(8)4-5;6-5-3-1-2-4-7-5/h2*1-2,5-9,12,14,18-19,23,25,28,31,38H,3-4,10-11,13,15-17,20-21H2,(H,35,39);1-6,8,10,12H,7,9,11H2,(H,19,20);1-8H;1-4,8H;1-4H/t23-,28+,31+;23-,28-,31-;;;;/m01..../s1.

What are the key properties of (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid?

(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 2052.76 g/mol, XLogP of 19.90, 28 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;(3S)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide;2-fluoropyridine;3-iodophenol;2-(3-iodophenoxy)pyridine;1-(3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 158755799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).