lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide

C56H75F2LiN14O10 — CID 158283852

About lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide

lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide (PubChem CID 158283852) has the molecular formula C56H75F2LiN14O10 and a molecular weight of 1149.24 g/mol. Its IUPAC name is lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide.

Molecular Properties

• Compound Name: lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide
• PubChem CID: 158283852
• Molecular Formula: C56H75F2LiN14O10
• Molecular Weight: 1149.24 g/mol
• Exact Mass: 1148.59
• IUPAC Name: lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide
• SMILES: CC(C)(C)OC(=O)NN(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C1CC1.CCO.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CCN(NC(=O)OC(C)(C)C)C3CC3)nc12.[Li+].[OH-]
• InChI: InChI=1S/C28H36FN7O4.C26H32FN7O4.C2H6O.Li.H2O/c1-5-39-26(37)21-17-31-36-14-11-24(32-25(21)36)34-12-6-7-23(34)20-15-18(29)16-30-22(20)10-13-35(19-8-9-19)33-27(38)40-28(2,3)4;1-26(2,3)38-25(37)31-33(17-6-7-17)11-8-20-18(13-16(27)14-28-20)21-5-4-10-32(21)22-9-12-34-23(30-22)19(15-29-34)24(35)36;1-2-3;;/h11,14-17,19,23H,5-10,12-13H2,1-4H3,(H,33,38);9,12-15,17,21H,4-8,10-11H2,1-3H3,(H,31,37)(H,35,36);3H,2H2,1H3;;1H2/q;;;+1;/p-1
• InChIKey: GKNLOPMTUDQKCP-UHFFFAOYSA-M
• XLogP: 4.80
• TPSA: 289.61 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1149.24
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide?

The IUPAC name of lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide (CID 158283852) is lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide.

What is the SMILES notation for lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide?

The canonical SMILES for lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide is CC(C)(C)OC(=O)NN(CCc1ncc(F)cc1C1CCCN1c1ccn2ncc(C(=O)O)c2n1)C1CC1.CCO.CCOC(=O)c1cnn2ccc(N3CCCC3c3cc(F)cnc3CCN(NC(=O)OC(C)(C)C)C3CC3)nc12.[Li+].[OH-].

What is the InChIKey of lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide?

The InChIKey is GKNLOPMTUDQKCP-UHFFFAOYSA-M. The full InChI is InChI=1S/C28H36FN7O4.C26H32FN7O4.C2H6O.Li.H2O/c1-5-39-26(37)21-17-31-36-14-11-24(32-25(21)36)34-12-6-7-23(34)20-15-18(29)16-30-22(20)10-13-35(19-8-9-19)33-27(38)40-28(2,3)4;1-26(2,3)38-25(37)31-33(17-6-7-17)11-8-20-18(13-16(27)14-28-20)21-5-4-10-32(21)22-9-12-34-23(30-22)19(15-29-34)24(35)36;1-2-3;;/h11,14-17,19,23H,5-10,12-13H2,1-4H3,(H,33,38);9,12-15,17,21H,4-8,10-11H2,1-3H3,(H,31,37)(H,35,36);3H,2H2,1H3;;1H2/q;;;+1;/p-1.

What are the key properties of lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide?

lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide has a molecular weight of 1149.24 g/mol, XLogP of 4.80, 17 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for lithium;5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethanol;ethyl 5-[2-[2-[2-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]ethyl]-5-fluoro-3-pyridinyl]pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;hydroxide is sourced from PubChem (CID 158283852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).