(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid

C58H74Cl2N10O7 — CID 159472283

IUPAC(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc2cc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc(OC5CC5)c(Cl)c4)C3)ccc21.Cn1ncc2cc(N3CC[C@@H](C(=O)O)C3)ccc21.N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1
InChIInChI=1S/C29H36ClN5O3.C16H23ClN2O2.C13H15N3O2/c1-33-26-8-5-22(14-21(26)16-31-33)35-13-10-20(17-35)29(37)32-25(18-34-11-2-3-12-34)28(36)19-4-9-27(24(30)15-19)38-23-6-7-23;17-13-9-11(3-6-15(13)21-12-4-5-12)16(20)14(18)10-19-7-1-2-8-19;1-15-12-3-2-11(6-10(12)7-14-15)16-5-4-9(8-16)13(17)18/h4-5,8-9,14-16,20,23,25,28,36H,2-3,6-7,10-13,17-18H2,1H3,(H,32,37);3,6,9,12,14,16,20H,1-2,4-5,7-8,10,18H2;2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t20-,25-,28-;14-,16-;9-/m111/s1
InChIKeyLVYLKCJFPYAFIB-WEGMMRNJSA-N
MW1094.20 g/mol
LogP7.73
Rot. Bonds17

About (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid

(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid (PubChem CID 159472283) has the molecular formula C58H74Cl2N10O7 and a molecular weight of 1094.20 g/mol. Its IUPAC name is (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid
PubChem CID159472283
Molecular FormulaC58H74Cl2N10O7
Molecular Weight1094.20 g/mol
Exact Mass1092.51
IUPAC Name(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid
SMILESCn1ncc2cc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc(OC5CC5)c(Cl)c4)C3)ccc21.Cn1ncc2cc(N3CC[C@@H](C(=O)O)C3)ccc21.N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1
InChIInChI=1S/C29H36ClN5O3.C16H23ClN2O2.C13H15N3O2/c1-33-26-8-5-22(14-21(26)16-31-33)35-13-10-20(17-35)29(37)32-25(18-34-11-2-3-12-34)28(36)19-4-9-27(24(30)15-19)38-23-6-7-23;17-13-9-11(3-6-15(13)21-12-4-5-12)16(20)14(18)10-19-7-1-2-8-19;1-15-12-3-2-11(6-10(12)7-14-15)16-5-4-9(8-16)13(17)18/h4-5,8-9,14-16,20,23,25,28,36H,2-3,6-7,10-13,17-18H2,1H3,(H,32,37);3,6,9,12,14,16,20H,1-2,4-5,7-8,10,18H2;2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t20-,25-,28-;14-,16-;9-/m111/s1
InChIKeyLVYLKCJFPYAFIB-WEGMMRNJSA-N
XLogP7.73
TPSA199.94 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds17
Heavy Atoms77
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001094.20
LogP ≤ 57.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid with MolForge

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Related Compounds

(3R)-N-[1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide
CID 134288478
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-naphthalen-2-ylpyrrolidine-3-carboxamide
CID 118058077
1-(4-tert-butylphenyl)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 122555669
(1R,2R)-2-amino-1-[3-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-3-pyrrolidin-1-ylpropan-1-ol;azane;(3R)-N-[(1R,2R)-1-[3-chloro-4-[(2-methylpropan-2-yl)oxy]phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-chlorophenyl)pyrrolidine-3-carboxamide;(3R)-1-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
CID 161167498
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclobutyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 118058514
N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 122555710
(3R)-1-(2-chloro-1-benzothiophen-6-yl)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 118058267
N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-cyanophenyl)pyrrolidine-3-carboxamide
CID 122555728
1-(4-chlorophenyl)-N-[1-(4-cyclopropyloxy-3-fluorophenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]pyrrolidine-3-carboxamide
CID 123435780
N-[(1R,2R)-1-[3-chloro-4-(oxan-4-yloxy)phenyl]-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(4-fluorophenyl)pyrrolidine-3-carboxamide
CID 122555753
(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(6-chloroquinolin-2-yl)pyrrolidine-3-carboxamide
CID 118058492
(3R)-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
CID 134279752

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid (CID 159472283) is (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid is Cn1ncc2cc(N3CC[C@@H](C(=O)N[C@H](CN4CCCC4)[C@H](O)c4ccc(OC5CC5)c(Cl)c4)C3)ccc21.Cn1ncc2cc(N3CC[C@@H](C(=O)O)C3)ccc21.N[C@H](CN1CCCC1)[C@H](O)c1ccc(OC2CC2)c(Cl)c1.
What is the InChIKey of (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is LVYLKCJFPYAFIB-WEGMMRNJSA-N. The full InChI is InChI=1S/C29H36ClN5O3.C16H23ClN2O2.C13H15N3O2/c1-33-26-8-5-22(14-21(26)16-31-33)35-13-10-20(17-35)29(37)32-25(18-34-11-2-3-12-34)28(36)19-4-9-27(24(30)15-19)38-23-6-7-23;17-13-9-11(3-6-15(13)21-12-4-5-12)16(20)14(18)10-19-7-1-2-8-19;1-15-12-3-2-11(6-10(12)7-14-15)16-5-4-9(8-16)13(17)18/h4-5,8-9,14-16,20,23,25,28,36H,2-3,6-7,10-13,17-18H2,1H3,(H,32,37);3,6,9,12,14,16,20H,1-2,4-5,7-8,10,18H2;2-3,6-7,9H,4-5,8H2,1H3,(H,17,18)/t20-,25-,28-;14-,16-;9-/m111/s1.
What are the key properties of (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid?
(1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 1094.20 g/mol, XLogP of 7.73, 17 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-2-amino-1-(3-chloro-4-cyclopropyloxyphenyl)-3-pyrrolidin-1-ylpropan-1-ol;(3R)-N-[(1R,2R)-1-(3-chloro-4-cyclopropyloxyphenyl)-1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl]-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxamide;(3R)-1-(1-methylindazol-5-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 159472283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).