1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

C31H33FN6O3 — CID 146550163

About 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (PubChem CID 146550163) has the molecular formula C31H33FN6O3 and a molecular weight of 556.64 g/mol. Its IUPAC name is 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• PubChem CID: 146550163
• Molecular Formula: C31H33FN6O3
• Molecular Weight: 556.64 g/mol
• Exact Mass: 556.26
• IUPAC Name: 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• SMILES: COCCN1CC(NC(=O)Nc2c(C)c(-c3cc4c(cn3)COC4)nn2-c2ccccc2)C(c2cccc(F)c2)C1
• InChI: InChI=1S/C31H33FN6O3/c1-20-29(27-14-22-18-41-19-23(22)15-33-27)36-38(25-9-4-3-5-10-25)30(20)35-31(39)34-28-17-37(11-12-40-2)16-26(28)21-7-6-8-24(32)13-21/h3-10,13-15,26,28H,11-12,16-19H2,1-2H3,(H2,34,35,39)
• InChIKey: VZJZQIRTHLOZBQ-UHFFFAOYSA-N
• XLogP: 4.65
• TPSA: 93.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	556.64
LogP ≤ 5	4.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The IUPAC name of 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (CID 146550163) is 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

What is the SMILES notation for 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The canonical SMILES for 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is COCCN1CC(NC(=O)Nc2c(C)c(-c3cc4c(cn3)COC4)nn2-c2ccccc2)C(c2cccc(F)c2)C1.

What is the InChIKey of 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The InChIKey is VZJZQIRTHLOZBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN6O3/c1-20-29(27-14-22-18-41-19-23(22)15-33-27)36-38(25-9-4-3-5-10-25)30(20)35-31(39)34-28-17-37(11-12-40-2)16-26(28)21-7-6-8-24(32)13-21/h3-10,13-15,26,28H,11-12,16-19H2,1-2H3,(H2,34,35,39).

What are the key properties of 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea has a molecular weight of 556.64 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(1,3-dihydrofuro[3,4-c]pyridin-6-yl)-4-methyl-1-phenylpyrazol-5-yl]-3-[4-(3-fluorophenyl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 146550163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).