4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C25H22F2N6O3 — CID 58385436

About 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide

4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 58385436) has the molecular formula C25H22F2N6O3 and a molecular weight of 492.49 g/mol. Its IUPAC name is 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
• PubChem CID: 58385436
• Molecular Formula: C25H22F2N6O3
• Molecular Weight: 492.49 g/mol
• Exact Mass: 492.17
• IUPAC Name: 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide
• SMILES: CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)n(-c2cc(F)cc(F)c2)n1
• InChI: InChI=1S/C25H22F2N6O3/c1-14(2)21-13-23(33(32-21)18-10-15(26)9-16(27)11-18)31-25(35)30-17-3-5-19(6-4-17)36-20-7-8-29-22(12-20)24(28)34/h3-14H,1-2H3,(H2,28,34)(H2,30,31,35)
• InChIKey: LWRGPXBYVADLMX-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 124.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.49
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The IUPAC name of 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 58385436) is 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

What is the SMILES notation for 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The canonical SMILES for 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is CC(C)c1cc(NC(=O)Nc2ccc(Oc3ccnc(C(N)=O)c3)cc2)n(-c2cc(F)cc(F)c2)n1.

What is the InChIKey of 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

The InChIKey is LWRGPXBYVADLMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O3/c1-14(2)21-13-23(33(32-21)18-10-15(26)9-16(27)11-18)31-25(35)30-17-3-5-19(6-4-17)36-20-7-8-29-22(12-20)24(28)34/h3-14H,1-2H3,(H2,28,34)(H2,30,31,35).

What are the key properties of 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide?

4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 492.49 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[[1-(3,5-difluorophenyl)-3-propan-2-ylpyrazol-5-yl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 58385436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).