1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

C65H83F2N9O7Si — CID 171485234

About 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione

1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (PubChem CID 171485234) has the molecular formula C65H83F2N9O7Si and a molecular weight of 1168.52 g/mol. Its IUPAC name is 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.

Molecular Properties

• Compound Name: 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
• PubChem CID: 171485234
• Molecular Formula: C65H83F2N9O7Si
• Molecular Weight: 1168.52 g/mol
• Exact Mass: 1167.62
• IUPAC Name: 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione
• SMILES: COCOc1cc(-c2ncc3c(NC4CC4)nc(OCC4(CN5CCN(CC6CCC7(CC6)CCN(C(=O)c6ccc(OC)c(N8CCC(=O)NC8=O)c6)CC7)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1
• InChI: InChI=1S/C65H83F2N9O7Si/c1-41(2)84(42(3)4,43(5)6)32-18-49-52(66)13-9-45-33-48(83-40-80-7)35-50(56(45)49)58-57(67)59-51(36-68-58)60(69-47-11-12-47)72-62(71-59)82-39-65(21-22-65)38-74-30-28-73(29-31-74)37-44-15-19-64(20-16-44)23-26-75(27-24-64)61(78)46-10-14-54(81-8)53(34-46)76-25-17-55(77)70-63(76)79/h9-10,13-14,33-36,41-44,47H,11-12,15-17,19-31,37-40H2,1-8H3,(H,69,71,72)(H,70,77,79)
• InChIKey: RXFWLVYVCRWWLH-UHFFFAOYSA-N
• XLogP: 11.59
• TPSA: 163.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 19
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1168.52
LogP ≤ 5	11.59
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?

The IUPAC name of 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione (CID 171485234) is 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione.

What is the SMILES notation for 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?

The canonical SMILES for 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is COCOc1cc(-c2ncc3c(NC4CC4)nc(OCC4(CN5CCN(CC6CCC7(CC6)CCN(C(=O)c6ccc(OC)c(N8CCC(=O)NC8=O)c6)CC7)CC5)CC4)nc3c2F)c2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c(F)ccc2c1.

What is the InChIKey of 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?

The InChIKey is RXFWLVYVCRWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H83F2N9O7Si/c1-41(2)84(42(3)4,43(5)6)32-18-49-52(66)13-9-45-33-48(83-40-80-7)35-50(56(45)49)58-57(67)59-51(36-68-58)60(69-47-11-12-47)72-62(71-59)82-39-65(21-22-65)38-74-30-28-73(29-31-74)37-44-15-19-64(20-16-44)23-26-75(27-24-64)61(78)46-10-14-54(81-8)53(34-46)76-25-17-55(77)70-63(76)79/h9-10,13-14,33-36,41-44,47H,11-12,15-17,19-31,37-40H2,1-8H3,(H,69,71,72)(H,70,77,79).

What are the key properties of 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione?

1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione has a molecular weight of 1168.52 g/mol, XLogP of 11.59, 19 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[9-[[4-[[1-[[4-(cyclopropylamino)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropyl]methyl]piperazin-1-yl]methyl]-3-azaspiro[5.5]undecane-3-carbonyl]-2-methoxyphenyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 171485234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).