1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid

C54H52Cl2F2N10O5 — CID 158778727

About 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid

1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid (PubChem CID 158778727) has the molecular formula C54H52Cl2F2N10O5 and a molecular weight of 1029.98 g/mol. Its IUPAC name is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid.

Molecular Properties

• Compound Name: 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid
• PubChem CID: 158778727
• Molecular Formula: C54H52Cl2F2N10O5
• Molecular Weight: 1029.98 g/mol
• Exact Mass: 1028.35
• IUPAC Name: 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid
• SMILES: Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.Cc1cc(C(=O)O)n(-c2ccc(Cl)cn2)n1.Nc1cc(C(O)(CCC2CC2)c2ccccn2)ccc1F
• InChI: InChI=1S/C27H25ClFN5O2.C17H19FN2O.C10H8ClN3O2/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24;18-14-7-6-13(11-15(14)19)17(21,9-8-12-4-5-12)16-3-1-2-10-20-16;1-6-4-8(10(15)16)14(13-6)9-3-2-7(11)5-12-9/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35);1-3,6-7,10-12,21H,4-5,8-9,19H2;2-5H,1H3,(H,15,16)
• InChIKey: IQULOKQFTZXQBC-UHFFFAOYSA-N
• XLogP: 10.60
• TPSA: 220.08 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.98
LogP ≤ 5	10.60
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?

The IUPAC name of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid (CID 158778727) is 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid.

What is the SMILES notation for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?

The canonical SMILES for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid is Cc1cc(C(=O)Nc2cc(C(O)(CCC3CC3)c3ccccn3)ccc2F)n(-c2ccc(Cl)cn2)n1.Cc1cc(C(=O)O)n(-c2ccc(Cl)cn2)n1.Nc1cc(C(O)(CCC2CC2)c2ccccn2)ccc1F.

What is the InChIKey of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?

The InChIKey is IQULOKQFTZXQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClFN5O2.C17H19FN2O.C10H8ClN3O2/c1-17-14-23(34(33-17)25-10-8-20(28)16-31-25)26(35)32-22-15-19(7-9-21(22)29)27(36,12-11-18-5-6-18)24-4-2-3-13-30-24;18-14-7-6-13(11-15(14)19)17(21,9-8-12-4-5-12)16-3-1-2-10-20-16;1-6-4-8(10(15)16)14(13-6)9-3-2-7(11)5-12-9/h2-4,7-10,13-16,18,36H,5-6,11-12H2,1H3,(H,32,35);1-3,6-7,10-12,21H,4-5,8-9,19H2;2-5H,1H3,(H,15,16).

What are the key properties of 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid?

1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid has a molecular weight of 1029.98 g/mol, XLogP of 10.60, 15 rotatable bonds, 5 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-amino-4-fluorophenyl)-3-cyclopropyl-1-pyridin-2-ylpropan-1-ol;2-(5-chloro-2-pyridinyl)-N-[5-(3-cyclopropyl-1-hydroxy-1-pyridin-2-ylpropyl)-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;2-(5-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxylic acid is sourced from PubChem (CID 158778727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).