(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane

C94H134Cl3N15O11 — CID 158662279

IUPAC(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
SMILESC.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@H](N)CN2CCCC2)cn1
InChIInChI=1S/3C26H35ClN4O3.C15H25N3O2.CH4/c3*1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22;1-11(2)20-14-6-5-12(9-17-14)15(19)13(16)10-18-7-3-4-8-18;/h3*5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33);5-6,9,11,13,15,19H,3-4,7-8,10,16H2,1-2H3;1H4/t20?,23-,25-;20-,23+,25+;20-,23-,25-;13-,15-;/m1011./s1
InChIKeyICXDDSJZMKCXHB-IADFATERSA-N
MW1756.56 g/mol
LogP12.95
Rot. Bonds33

About (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane

(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane (PubChem CID 158662279) has the molecular formula C94H134Cl3N15O11 and a molecular weight of 1756.56 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
PubChem CID158662279
Molecular FormulaC94H134Cl3N15O11
Molecular Weight1756.56 g/mol
Exact Mass1753.95
IUPAC Name(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane
SMILESC.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@H](N)CN2CCCC2)cn1
InChIInChI=1S/3C26H35ClN4O3.C15H25N3O2.CH4/c3*1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22;1-11(2)20-14-6-5-12(9-17-14)15(19)13(16)10-18-7-3-4-8-18;/h3*5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33);5-6,9,11,13,15,19H,3-4,7-8,10,16H2,1-2H3;1H4/t20?,23-,25-;20-,23+,25+;20-,23-,25-;13-,15-;/m1011./s1
InChIKeyICXDDSJZMKCXHB-IADFATERSA-N
XLogP12.95
TPSA305.40 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001756.56
LogP ≤ 512.95
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Analyze (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane?
The IUPAC name of (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane (CID 158662279) is (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane.
What is the SMILES notation for (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane?
The canonical SMILES for (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane is C.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)C2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(Cl)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@H](N)CN2CCCC2)cn1.
What is the InChIKey of (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane?
The InChIKey is ICXDDSJZMKCXHB-IADFATERSA-N. The full InChI is InChI=1S/3C26H35ClN4O3.C15H25N3O2.CH4/c3*1-18(2)34-24-10-5-19(15-28-24)25(32)23(17-30-12-3-4-13-30)29-26(33)20-11-14-31(16-20)22-8-6-21(27)7-9-22;1-11(2)20-14-6-5-12(9-17-14)15(19)13(16)10-18-7-3-4-8-18;/h3*5-10,15,18,20,23,25,32H,3-4,11-14,16-17H2,1-2H3,(H,29,33);5-6,9,11,13,15,19H,3-4,7-8,10,16H2,1-2H3;1H4/t20?,23-,25-;20-,23+,25+;20-,23-,25-;13-,15-;/m1011./s1.
What are the key properties of (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane?
(1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane has a molecular weight of 1756.56 g/mol, XLogP of 12.95, 33 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-chlorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;methane is sourced from PubChem (CID 158662279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).