N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

C37H40FN9O3Si — CID 140813303

About N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide

N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide (PubChem CID 140813303) has the molecular formula C37H40FN9O3Si and a molecular weight of 705.87 g/mol. Its IUPAC name is N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
• PubChem CID: 140813303
• Molecular Formula: C37H40FN9O3Si
• Molecular Weight: 705.87 g/mol
• Exact Mass: 705.30
• IUPAC Name: N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide
• SMILES: COc1ncc(F)cc1C1CCCN1c1ncc2[nH]nc(C(=O)Nc3ccnn3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2n1
• InChI: InChI=1S/C37H40FN9O3Si/c1-37(2,3)51(26-12-7-5-8-13-26,27-14-9-6-10-15-27)50-21-20-47-31(17-18-41-47)42-34(48)33-32-29(44-45-33)24-40-36(43-32)46-19-11-16-30(46)28-22-25(38)23-39-35(28)49-4/h5-10,12-15,17-18,22-24,30H,11,16,19-21H2,1-4H3,(H,42,48)(H,44,45)
• InChIKey: CRYFBXZZPJBTSO-UHFFFAOYSA-N
• XLogP: 5.26
• TPSA: 135.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	705.87
LogP ≤ 5	5.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide?

The IUPAC name of N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide (CID 140813303) is N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide.

What is the SMILES notation for N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide?

The canonical SMILES for N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide is COc1ncc(F)cc1C1CCCN1c1ncc2[nH]nc(C(=O)Nc3ccnn3CCO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)c2n1.

What is the InChIKey of N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide?

The InChIKey is CRYFBXZZPJBTSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H40FN9O3Si/c1-37(2,3)51(26-12-7-5-8-13-26,27-14-9-6-10-15-27)50-21-20-47-31(17-18-41-47)42-34(48)33-32-29(44-45-33)24-40-36(43-32)46-19-11-16-30(46)28-22-25(38)23-39-35(28)49-4/h5-10,12-15,17-18,22-24,30H,11,16,19-21H2,1-4H3,(H,42,48)(H,44,45).

What are the key properties of N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide?

N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide has a molecular weight of 705.87 g/mol, XLogP of 5.26, 11 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-[tert-butyl(diphenyl)silyl]oxyethyl]pyrazol-3-yl]-5-[2-(5-fluoro-2-methoxy-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 140813303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).