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

C95H137F2N15O11 — CID 158112693

IUPAC(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane
SMILESC.CC(C)Oc1ccc(C(O)[C@H](N)CN2CCCC2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1.Cc1ccc(N2CCC(C(=O)N[C@H](CN3CCCC3)[C@H](O)c3ccc(OC(C)C)nc3)C2)cc1
InChIInChI=1S/C27H38N4O3.2C26H35FN4O3.C15H25N3O2.CH4/c1-19(2)34-25-11-8-21(16-28-25)26(32)24(18-30-13-4-5-14-30)29-27(33)22-12-15-31(17-22)23-9-6-20(3)7-10-23;2*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;/h6-11,16,19,22,24,26,32H,4-5,12-15,17-18H2,1-3H3,(H,29,33);2*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/t22?,24-,26-;20-,23+,25+;20-,23-,25-;13-,15?;/m1011./s1
InChIKeyFQQBAHBOCXOFEF-SFZISRBFSA-N
MW1703.23 g/mol
LogP11.58
Rot. Bonds33

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

(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane (PubChem CID 158112693) has the molecular formula C95H137F2N15O11 and a molecular weight of 1703.23 g/mol. Its IUPAC name is (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane.

Molecular Properties

Compound Name(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane
PubChem CID158112693
Molecular FormulaC95H137F2N15O11
Molecular Weight1703.23 g/mol
Exact Mass1702.06
IUPAC Name(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane
SMILESC.CC(C)Oc1ccc(C(O)[C@H](N)CN2CCCC2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1.Cc1ccc(N2CCC(C(=O)N[C@H](CN3CCCC3)[C@H](O)c3ccc(OC(C)C)nc3)C2)cc1
InChIInChI=1S/C27H38N4O3.2C26H35FN4O3.C15H25N3O2.CH4/c1-19(2)34-25-11-8-21(16-28-25)26(32)24(18-30-13-4-5-14-30)29-27(33)22-12-15-31(17-22)23-9-6-20(3)7-10-23;2*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;/h6-11,16,19,22,24,26,32H,4-5,12-15,17-18H2,1-3H3,(H,29,33);2*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/t22?,24-,26-;20-,23+,25+;20-,23-,25-;13-,15?;/m1011./s1
InChIKeyFQQBAHBOCXOFEF-SFZISRBFSA-N
XLogP11.58
TPSA305.40 Ų
H-Bond Donors8
H-Bond Acceptors23
Rotatable Bonds33
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001703.23
LogP ≤ 511.58
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane?
The IUPAC name of (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane (CID 158112693) is (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane.
What is the SMILES notation for (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane?
The canonical SMILES for (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane is C.CC(C)Oc1ccc(C(O)[C@H](N)CN2CCCC2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@@H]2CCN(c3ccc(F)cc3)C2)cn1.CC(C)Oc1ccc([C@@H](O)[C@@H](CN2CCCC2)NC(=O)[C@H]2CCN(c3ccc(F)cc3)C2)cn1.Cc1ccc(N2CCC(C(=O)N[C@H](CN3CCCC3)[C@H](O)c3ccc(OC(C)C)nc3)C2)cc1.
What is the InChIKey of (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane?
The InChIKey is FQQBAHBOCXOFEF-SFZISRBFSA-N. The full InChI is InChI=1S/C27H38N4O3.2C26H35FN4O3.C15H25N3O2.CH4/c1-19(2)34-25-11-8-21(16-28-25)26(32)24(18-30-13-4-5-14-30)29-27(33)22-12-15-31(17-22)23-9-6-20(3)7-10-23;2*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;/h6-11,16,19,22,24,26,32H,4-5,12-15,17-18H2,1-3H3,(H,29,33);2*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/t22?,24-,26-;20-,23+,25+;20-,23-,25-;13-,15?;/m1011./s1.
What are the key properties of (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane?
(2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane has a molecular weight of 1703.23 g/mol, XLogP of 11.58, 33 rotatable bonds, 8 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;(3S)-1-(4-fluorophenyl)-N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide;N-[(1R,2R)-1-hydroxy-1-(6-propan-2-yloxy-3-pyridinyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-methylphenyl)pyrrolidine-3-carboxamide;methane is sourced from PubChem (CID 158112693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).