5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide

C42H48F6N12O5Si — CID 165091627

About 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide

5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide (PubChem CID 165091627) has the molecular formula C42H48F6N12O5Si and a molecular weight of 943.00 g/mol. Its IUPAC name is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide.

Molecular Properties

• Compound Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide
• PubChem CID: 165091627
• Molecular Formula: C42H48F6N12O5Si
• Molecular Weight: 943.00 g/mol
• Exact Mass: 942.35
• IUPAC Name: 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide
• SMILES: C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(noc4C(=O)NCCC(F)(F)F)C4(CC4)C3)ncnc21.O=C(NCCC(F)(F)F)c1onc2c1CN(c1ncnc3[nH]ccc13)CC21CC1
• InChI: InChI=1S/C24H31F3N6O3Si.C18H17F3N6O2/c1-37(2,3)11-10-35-15-32-9-4-16-20(32)29-14-30-21(16)33-12-17-18(22(34)28-8-7-24(25,26)27)36-31-19(17)23(13-33)5-6-23;19-18(20,21)4-6-23-16(28)12-11-7-27(8-17(2-3-17)13(11)26-29-12)15-10-1-5-22-14(10)24-9-25-15/h4,9,14H,5-8,10-13,15H2,1-3H3,(H,28,34);1,5,9H,2-4,6-8H2,(H,23,28)(H,22,24,25)
• InChIKey: WUPGZDOEAVSXOS-UHFFFAOYSA-N
• XLogP: 7.15
• TPSA: 198.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	943.00
LogP ≤ 5	7.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

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 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide?

The IUPAC name of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide (CID 165091627) is 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide.

What is the SMILES notation for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide?

The canonical SMILES for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide is C[Si](C)(C)CCOCn1ccc2c(N3Cc4c(noc4C(=O)NCCC(F)(F)F)C4(CC4)C3)ncnc21.O=C(NCCC(F)(F)F)c1onc2c1CN(c1ncnc3[nH]ccc13)CC21CC1.

What is the InChIKey of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide?

The InChIKey is WUPGZDOEAVSXOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31F3N6O3Si.C18H17F3N6O2/c1-37(2,3)11-10-35-15-32-9-4-16-20(32)29-14-30-21(16)33-12-17-18(22(34)28-8-7-24(25,26)27)36-31-19(17)23(13-33)5-6-23;19-18(20,21)4-6-23-16(28)12-11-7-27(8-17(2-3-17)13(11)26-29-12)15-10-1-5-22-14(10)24-9-25-15/h4,9,14H,5-8,10-13,15H2,1-3H3,(H,28,34);1,5,9H,2-4,6-8H2,(H,23,28)(H,22,24,25).

What are the key properties of 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide?

5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide has a molecular weight of 943.00 g/mol, XLogP of 7.15, 13 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-N-(3,3,3-trifluoropropyl)spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide;N-(3,3,3-trifluoropropyl)-5-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]spiro[4,6-dihydro-[1,2]oxazolo[4,3-c]pyridine-7,1'-cyclopropane]-3-carboxamide is sourced from PubChem (CID 165091627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).