3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane

C50H69F2N10O7P — CID 158465339

IUPAC3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane
SMILESC.C.CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)C1.Cn1nc(-c2ccc(F)cc2)c2cc(N)ccc21.Cn1nc(-c2ccc(F)cc2)c2cc(NC(=O)C3(N)CCN(C(=O)OC(C)(C)C)C3)ccc21.P
InChIInChI=1S/C24H28FN5O3.C14H12FN3.C10H18N2O4.2CH4.H3P/c1-23(2,3)33-22(32)30-12-11-24(26,14-30)21(31)27-17-9-10-19-18(13-17)20(28-29(19)4)15-5-7-16(25)8-6-15;1-18-13-7-6-11(16)8-12(13)14(17-18)9-2-4-10(15)5-3-9;1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14;;;/h5-10,13H,11-12,14,26H2,1-4H3,(H,27,31);2-8H,16H2,1H3;4-6,11H2,1-3H3,(H,13,14);2*1H4;1H3
InChIKeyHFRKYSMSIGIGLQ-UHFFFAOYSA-N
MW991.13 g/mol
LogP8.36
Rot. Bonds5

About 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane

3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane (PubChem CID 158465339) has the molecular formula C50H69F2N10O7P and a molecular weight of 991.13 g/mol. Its IUPAC name is 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane.

Molecular Properties

Compound Name3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane
PubChem CID158465339
Molecular FormulaC50H69F2N10O7P
Molecular Weight991.13 g/mol
Exact Mass990.51
IUPAC Name3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane
SMILESC.C.CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)C1.Cn1nc(-c2ccc(F)cc2)c2cc(N)ccc21.Cn1nc(-c2ccc(F)cc2)c2cc(NC(=O)C3(N)CCN(C(=O)OC(C)(C)C)C3)ccc21.P
InChIInChI=1S/C24H28FN5O3.C14H12FN3.C10H18N2O4.2CH4.H3P/c1-23(2,3)33-22(32)30-12-11-24(26,14-30)21(31)27-17-9-10-19-18(13-17)20(28-29(19)4)15-5-7-16(25)8-6-15;1-18-13-7-6-11(16)8-12(13)14(17-18)9-2-4-10(15)5-3-9;1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14;;;/h5-10,13H,11-12,14,26H2,1-4H3,(H,27,31);2-8H,16H2,1H3;4-6,11H2,1-3H3,(H,13,14);2*1H4;1H3
InChIKeyHFRKYSMSIGIGLQ-UHFFFAOYSA-N
XLogP8.36
TPSA239.18 Ų
H-Bond Donors5
H-Bond Acceptors13
Rotatable Bonds5
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500991.13
LogP ≤ 58.36
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane?
The IUPAC name of 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane (CID 158465339) is 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane.
What is the SMILES notation for 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane?
The canonical SMILES for 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane is C.C.CC(C)(C)OC(=O)N1CCC(N)(C(=O)O)C1.Cn1nc(-c2ccc(F)cc2)c2cc(N)ccc21.Cn1nc(-c2ccc(F)cc2)c2cc(NC(=O)C3(N)CCN(C(=O)OC(C)(C)C)C3)ccc21.P.
What is the InChIKey of 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane?
The InChIKey is HFRKYSMSIGIGLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN5O3.C14H12FN3.C10H18N2O4.2CH4.H3P/c1-23(2,3)33-22(32)30-12-11-24(26,14-30)21(31)27-17-9-10-19-18(13-17)20(28-29(19)4)15-5-7-16(25)8-6-15;1-18-13-7-6-11(16)8-12(13)14(17-18)9-2-4-10(15)5-3-9;1-9(2,3)16-8(15)12-5-4-10(11,6-12)7(13)14;;;/h5-10,13H,11-12,14,26H2,1-4H3,(H,27,31);2-8H,16H2,1H3;4-6,11H2,1-3H3,(H,13,14);2*1H4;1H3.
What are the key properties of 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane?
3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane has a molecular weight of 991.13 g/mol, XLogP of 8.36, 5 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid;tert-butyl 3-amino-3-[[3-(4-fluorophenyl)-1-methylindazol-5-yl]carbamoyl]pyrrolidine-1-carboxylate;3-(4-fluorophenyl)-1-methylindazol-5-amine;methane;phosphane is sourced from PubChem (CID 158465339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).