1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

C89H101F6N25O7 — CID 160982666

About 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea

1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (PubChem CID 160982666) has the molecular formula C89H101F6N25O7 and a molecular weight of 1746.94 g/mol. Its IUPAC name is 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

Molecular Properties

• Compound Name: 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• PubChem CID: 160982666
• Molecular Formula: C89H101F6N25O7
• Molecular Weight: 1746.94 g/mol
• Exact Mass: 1745.82
• IUPAC Name: 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea
• SMILES: COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3ccc(C4(F)COC4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc(C4(F)CN(C)C4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc(C4(F)CNC4)nc3)nn2-c2ccccc2)C1
• InChI: InChI=1S/C30H35F2N9O2.C30H33F2N7O3.C29H33F2N9O2/c1-20-26(21-13-33-28(34-14-21)30(32)18-38(2)19-30)37-41(23-7-5-4-6-8-23)27(20)36-29(42)35-24-16-39(11-12-43-3)17-25(24)40-10-9-22(31)15-40;1-20-27(21-8-9-26(33-14-21)30(32)18-42-19-30)36-39(23-6-4-3-5-7-23)28(20)35-29(40)34-24-16-37(12-13-41-2)17-25(24)38-11-10-22(31)15-38;1-19-25(20-12-33-27(34-13-20)29(31)17-32-18-29)37-40(22-6-4-3-5-7-22)26(19)36-28(41)35-23-15-38(10-11-42-2)16-24(23)39-9-8-21(30)14-39/h4-10,13-15,24-25H,11-12,16-19H2,1-3H3,(H2,35,36,42);3-11,14-15,24-25H,12-13,16-19H2,1-2H3,(H2,34,35,40);3-9,12-14,23-24,32H,10-11,15-18H2,1-2H3,(H2,35,36,41)/t2*24-,25-;23-,24-/m111/s1
• InChIKey: SZSGRLCUTSGXLJ-AHOZPJGSSA-N
• XLogP: 10.49
• TPSA: 318.00 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 26
• Rotatable Bonds: 27
• Heavy Atoms: 127
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1746.94
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The IUPAC name of 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea (CID 160982666) is 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea.

What is the SMILES notation for 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The canonical SMILES for 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3ccc(C4(F)COC4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc(C4(F)CN(C)C4)nc3)nn2-c2ccccc2)C1.COCCN1C[C@@H](n2ccc(F)c2)[C@H](NC(=O)Nc2c(C)c(-c3cnc(C4(F)CNC4)nc3)nn2-c2ccccc2)C1.

What is the InChIKey of 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

The InChIKey is SZSGRLCUTSGXLJ-AHOZPJGSSA-N. The full InChI is InChI=1S/C30H35F2N9O2.C30H33F2N7O3.C29H33F2N9O2/c1-20-26(21-13-33-28(34-14-21)30(32)18-38(2)19-30)37-41(23-7-5-4-6-8-23)27(20)36-29(42)35-24-16-39(11-12-43-3)17-25(24)40-10-9-22(31)15-40;1-20-27(21-8-9-26(33-14-21)30(32)18-42-19-30)36-39(23-6-4-3-5-7-23)28(20)35-29(40)34-24-16-37(12-13-41-2)17-25(24)38-11-10-22(31)15-38;1-19-25(20-12-33-27(34-13-20)29(31)17-32-18-29)37-40(22-6-4-3-5-7-22)26(19)36-28(41)35-23-15-38(10-11-42-2)16-24(23)39-9-8-21(30)14-39/h4-10,13-15,24-25H,11-12,16-19H2,1-3H3,(H2,35,36,42);3-11,14-15,24-25H,12-13,16-19H2,1-2H3,(H2,34,35,40);3-9,12-14,23-24,32H,10-11,15-18H2,1-2H3,(H2,35,36,41)/t2*24-,25-;23-,24-/m111/s1.

What are the key properties of 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea?

1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea has a molecular weight of 1746.94 g/mol, XLogP of 10.49, 27 rotatable bonds, 7 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(3-fluoroazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[2-(3-fluoro-1-methylazetidin-3-yl)pyrimidin-5-yl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea;1-[3-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]-4-methyl-1-phenylpyrazol-5-yl]-3-[(3R,4R)-4-(3-fluoropyrrol-1-yl)-1-(2-methoxyethyl)pyrrolidin-3-yl]urea is sourced from PubChem (CID 160982666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).