5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

C30H41ClN6O3Si — CID 175618816

About 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one

5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (PubChem CID 175618816) has the molecular formula C30H41ClN6O3Si and a molecular weight of 597.24 g/mol. Its IUPAC name is 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
• PubChem CID: 175618816
• Molecular Formula: C30H41ClN6O3Si
• Molecular Weight: 597.24 g/mol
• Exact Mass: 596.27
• IUPAC Name: 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one
• SMILES: C[C@H]1CC2(CCN(c3nc4c(c(-c5ccc6nn(C)cc6c5Cl)cn4COCC[Si](C)(C)C)c(=O)n3C)CC2)CO1
• InChI: InChI=1S/C30H41ClN6O3Si/c1-20-15-30(18-40-20)9-11-36(12-10-30)29-32-27-25(28(38)35(29)3)22(17-37(27)19-39-13-14-41(4,5)6)21-7-8-24-23(26(21)31)16-34(2)33-24/h7-8,16-17,20H,9-15,18-19H2,1-6H3/t20-/m0/s1
• InChIKey: QJSXDJXEVHXWSE-FQEVSTJZSA-N
• XLogP: 5.65
• TPSA: 79.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.24
LogP ≤ 5	5.65
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 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The IUPAC name of 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one (CID 175618816) is 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one.

What is the SMILES notation for 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The canonical SMILES for 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is C[C@H]1CC2(CCN(c3nc4c(c(-c5ccc6nn(C)cc6c5Cl)cn4COCC[Si](C)(C)C)c(=O)n3C)CC2)CO1.

What is the InChIKey of 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

The InChIKey is QJSXDJXEVHXWSE-FQEVSTJZSA-N. The full InChI is InChI=1S/C30H41ClN6O3Si/c1-20-15-30(18-40-20)9-11-36(12-10-30)29-32-27-25(28(38)35(29)3)22(17-37(27)19-39-13-14-41(4,5)6)21-7-8-24-23(26(21)31)16-34(2)33-24/h7-8,16-17,20H,9-15,18-19H2,1-6H3/t20-/m0/s1.

What are the key properties of 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one?

5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one has a molecular weight of 597.24 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-chloro-2-methylindazol-5-yl)-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-7-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 175618816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).