(4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one

C32H44FN9O2Si — CID 67034711

About (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one

(4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one (PubChem CID 67034711) has the molecular formula C32H44FN9O2Si and a molecular weight of 633.85 g/mol. Its IUPAC name is (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one
• PubChem CID: 67034711
• Molecular Formula: C32H44FN9O2Si
• Molecular Weight: 633.85 g/mol
• Exact Mass: 633.34
• IUPAC Name: (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one
• SMILES: CC(C)[C@H]1CN(CCN2CC[C@@H](F)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2n1
• InChI: InChI=1S/C32H44FN9O2Si/c1-23(2)28-20-39(15-14-38-12-10-26(33)19-38)32(43)42(28)29-11-13-41-31(36-29)27(18-35-41)24-6-8-25(9-7-24)30-34-21-40(37-30)22-44-16-17-45(3,4)5/h6-9,11,13,18,21,23,26,28H,10,12,14-17,19-20,22H2,1-5H3/t26-,28-/m1/s1
• InChIKey: IKPUZPJOTVFAGH-IXCJQBJRSA-N
• XLogP: 5.28
• TPSA: 96.92 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.85
LogP ≤ 5	5.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?

The IUPAC name of (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one (CID 67034711) is (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one.

What is the SMILES notation for (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?

The canonical SMILES for (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one is CC(C)[C@H]1CN(CCN2CC[C@@H](F)C2)C(=O)N1c1ccn2ncc(-c3ccc(-c4ncn(COCC[Si](C)(C)C)n4)cc3)c2n1.

What is the InChIKey of (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?

The InChIKey is IKPUZPJOTVFAGH-IXCJQBJRSA-N. The full InChI is InChI=1S/C32H44FN9O2Si/c1-23(2)28-20-39(15-14-38-12-10-26(33)19-38)32(43)42(28)29-11-13-41-31(36-29)27(18-35-41)24-6-8-25(9-7-24)30-34-21-40(37-30)22-44-16-17-45(3,4)5/h6-9,11,13,18,21,23,26,28H,10,12,14-17,19-20,22H2,1-5H3/t26-,28-/m1/s1.

What are the key properties of (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one?

(4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one has a molecular weight of 633.85 g/mol, XLogP of 5.28, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-1-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethyl]-4-propan-2-yl-3-[3-[4-[1-(2-trimethylsilylethoxymethyl)-1,2,4-triazol-3-yl]phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]imidazolidin-2-one is sourced from PubChem (CID 67034711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).