methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

C46H68F6N12O3Si2 — CID 165078847

About methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane

methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (PubChem CID 165078847) has the molecular formula C46H68F6N12O3Si2 and a molecular weight of 1007.29 g/mol. Its IUPAC name is methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

Molecular Properties

• Compound Name: methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• PubChem CID: 165078847
• Molecular Formula: C46H68F6N12O3Si2
• Molecular Weight: 1007.29 g/mol
• Exact Mass: 1006.50
• IUPAC Name: methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane
• SMILES: C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4cc[nH]c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4ccn(C(=O)NCCC(F)(F)F)c4C3)ncnc21.NCCC(F)(F)F
• InChI: InChI=1S/C23H31F3N6O2Si.C19H27N5OSi.C3H6F3N.CH4/c1-35(2,3)13-12-34-16-31-10-6-18-20(28-15-29-21(18)31)30-9-4-17-5-11-32(19(17)14-30)22(33)27-8-7-23(24,25)26;1-26(2,3)11-10-25-14-24-9-6-16-18(21-13-22-19(16)24)23-8-5-15-4-7-20-17(15)12-23;4-3(5,6)1-2-7;/h5-6,10-11,15H,4,7-9,12-14,16H2,1-3H3,(H,27,33);4,6-7,9,13,20H,5,8,10-12,14H2,1-3H3;1-2,7H2;1H4
• InChIKey: UTXFMRUAQZKJHQ-UHFFFAOYSA-N
• XLogP: 9.79
• TPSA: 162.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 15
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.29
LogP ≤ 5	9.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

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 methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The IUPAC name of methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane (CID 165078847) is methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane.

What is the SMILES notation for methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The canonical SMILES for methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is C.C[Si](C)(C)CCOCn1ccc2c(N3CCc4cc[nH]c4C3)ncnc21.C[Si](C)(C)CCOCn1ccc2c(N3CCc4ccn(C(=O)NCCC(F)(F)F)c4C3)ncnc21.NCCC(F)(F)F.

What is the InChIKey of methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

The InChIKey is UTXFMRUAQZKJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31F3N6O2Si.C19H27N5OSi.C3H6F3N.CH4/c1-35(2,3)13-12-34-16-31-10-6-18-20(28-15-29-21(18)31)30-9-4-17-5-11-32(19(17)14-30)22(33)27-8-7-23(24,25)26;1-26(2,3)11-10-25-14-24-9-6-16-18(21-13-22-19(16)24)23-8-5-15-4-7-20-17(15)12-23;4-3(5,6)1-2-7;/h5-6,10-11,15H,4,7-9,12-14,16H2,1-3H3,(H,27,33);4,6-7,9,13,20H,5,8,10-12,14H2,1-3H3;1-2,7H2;1H4.

What are the key properties of methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane?

methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane has a molecular weight of 1007.29 g/mol, XLogP of 9.79, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for methane;3,3,3-trifluoropropan-1-amine;N-(3,3,3-trifluoropropyl)-6-[7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-yl]-5,7-dihydro-4H-pyrrolo[2,3-c]pyridine-1-carboxamide;trimethyl-[2-[[4-(1,4,5,7-tetrahydropyrrolo[2,3-c]pyridin-6-yl)pyrrolo[2,3-d]pyrimidin-7-yl]methoxy]ethyl]silane is sourced from PubChem (CID 165078847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).