1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

C30H32FN7O3 — CID 146550158

About 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (PubChem CID 146550158) has the molecular formula C30H32FN7O3 and a molecular weight of 557.63 g/mol. Its IUPAC name is 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• PubChem CID: 146550158
• Molecular Formula: C30H32FN7O3
• Molecular Weight: 557.63 g/mol
• Exact Mass: 557.26
• IUPAC Name: 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• SMILES: COCCN1CC(NC(=O)Nc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C(c2ccnc(F)c2)C1
• InChI: InChI=1S/C30H32FN7O3/c1-19-28(21-12-22-17-41-18-26(22)33-14-21)36-38(23-6-4-3-5-7-23)29(19)35-30(39)34-25-16-37(10-11-40-2)15-24(25)20-8-9-32-27(31)13-20/h3-9,12-14,24-25H,10-11,15-18H2,1-2H3,(H2,34,35,39)
• InChIKey: NJILVAUQRHLDDN-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 106.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	557.63
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The IUPAC name of 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (CID 146550158) is 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

What is the SMILES notation for 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The canonical SMILES for 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is COCCN1CC(NC(=O)Nc2c(C)c(-c3cnc4c(c3)COC4)nn2-c2ccccc2)C(c2ccnc(F)c2)C1.

What is the InChIKey of 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The InChIKey is NJILVAUQRHLDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32FN7O3/c1-19-28(21-12-22-17-41-18-26(22)33-14-21)36-38(23-6-4-3-5-7-23)29(19)35-30(39)34-25-16-37(10-11-40-2)15-24(25)20-8-9-32-27(31)13-20/h3-9,12-14,24-25H,10-11,15-18H2,1-2H3,(H2,34,35,39).

What are the key properties of 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea has a molecular weight of 557.63 g/mol, XLogP of 4.04, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(5,7-dihydrofuro[3,4-b]pyridin-3-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(2-fluoro-4-pyridinyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 146550158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).