N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide

C57H59FN10O8 — CID 144565430

About N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide (PubChem CID 144565430) has the molecular formula C57H59FN10O8 and a molecular weight of 1031.16 g/mol. Its IUPAC name is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
• PubChem CID: 144565430
• Molecular Formula: C57H59FN10O8
• Molecular Weight: 1031.16 g/mol
• Exact Mass: 1030.45
• IUPAC Name: N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide
• SMILES: CC.CNc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2)c(=O)n(-c2ccccc2)n1C.Cc1c(C=O)c(=O)n(-c2ccccc2)n1C
• InChI: InChI=1S/C27H25N5O4.C16H16FN3O2.C12H12N2O2.C2H6/c1-17-24(27(35)32(31(17)2)20-6-4-3-5-7-20)26(34)29-19-10-12-21(13-11-19)36-22-14-15-28-23(16-22)30-25(33)18-8-9-18;1-18-11-4-5-14(13(17)8-11)22-12-6-7-19-15(9-12)20-16(21)10-2-3-10;1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10;1-2/h3-7,10-16,18H,8-9H2,1-2H3,(H,29,34)(H,28,30,33);4-10,18H,2-3H2,1H3,(H,19,20,21);3-8H,1-2H3;1-2H3
• InChIKey: FEUHBSPXZCUDPM-UHFFFAOYSA-N
• XLogP: 10.00
• TPSA: 214.50 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 14
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1031.16
LogP ≤ 5	10.00
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide (CID 144565430) is N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide is CC.CNc1ccc(Oc2ccnc(NC(=O)C3CC3)c2)c(F)c1.Cc1c(C(=O)Nc2ccc(Oc3ccnc(NC(=O)C4CC4)c3)cc2)c(=O)n(-c2ccccc2)n1C.Cc1c(C=O)c(=O)n(-c2ccccc2)n1C.

What is the InChIKey of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide?

The InChIKey is FEUHBSPXZCUDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4.C16H16FN3O2.C12H12N2O2.C2H6/c1-17-24(27(35)32(31(17)2)20-6-4-3-5-7-20)26(34)29-19-10-12-21(13-11-19)36-22-14-15-28-23(16-22)30-25(33)18-8-9-18;1-18-11-4-5-14(13(17)8-11)22-12-6-7-19-15(9-12)20-16(21)10-2-3-10;1-9-11(8-15)12(16)14(13(9)2)10-6-4-3-5-7-10;1-2/h3-7,10-16,18H,8-9H2,1-2H3,(H,29,34)(H,28,30,33);4-10,18H,2-3H2,1H3,(H,19,20,21);3-8H,1-2H3;1-2H3.

What are the key properties of N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide?

N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide has a molecular weight of 1031.16 g/mol, XLogP of 10.00, 14 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-(cyclopropanecarbonylamino)-4-pyridinyl]oxy]phenyl]-1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carboxamide;1,5-dimethyl-3-oxo-2-phenylpyrazole-4-carbaldehyde;ethane;N-[4-[2-fluoro-4-(methylamino)phenoxy]-2-pyridinyl]cyclopropanecarboxamide is sourced from PubChem (CID 144565430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).