(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

C33H45N7OSi — CID 153471941

About (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile

(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (PubChem CID 153471941) has the molecular formula C33H45N7OSi and a molecular weight of 583.86 g/mol. Its IUPAC name is (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.

Molecular Properties

• Compound Name: (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
• PubChem CID: 153471941
• Molecular Formula: C33H45N7OSi
• Molecular Weight: 583.86 g/mol
• Exact Mass: 583.35
• IUPAC Name: (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile
• SMILES: Cc1ncc(C2CCN(C)CC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO[Si](C)(C)C(C)(C)C)CN3)n1
• InChI: InChI=1S/C33H45N7OSi/c1-22-29(17-26(19-36-22)23-10-13-40(6)14-11-23)39-31-35-12-9-28(38-31)24-15-25(18-34)30-27(16-24)33(5,20-37-30)21-41-42(7,8)32(2,3)4/h9,12,15-17,19,23,37H,10-11,13-14,20-21H2,1-8H3,(H,35,38,39)/t33-/m1/s1
• InChIKey: RPPGGOTTZDRFHK-MGBGTMOVSA-N
• XLogP: 6.98
• TPSA: 98.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.86
LogP ≤ 5	6.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The IUPAC name of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile (CID 153471941) is (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile.

What is the SMILES notation for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The canonical SMILES for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is Cc1ncc(C2CCN(C)CC2)cc1Nc1nccc(-c2cc(C#N)c3c(c2)[C@@](C)(CO[Si](C)(C)C(C)(C)C)CN3)n1.

What is the InChIKey of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

The InChIKey is RPPGGOTTZDRFHK-MGBGTMOVSA-N. The full InChI is InChI=1S/C33H45N7OSi/c1-22-29(17-26(19-36-22)23-10-13-40(6)14-11-23)39-31-35-12-9-28(38-31)24-15-25(18-34)30-27(16-24)33(5,20-37-30)21-41-42(7,8)32(2,3)4/h9,12,15-17,19,23,37H,10-11,13-14,20-21H2,1-8H3,(H,35,38,39)/t33-/m1/s1.

What are the key properties of (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile?

(3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile has a molecular weight of 583.86 g/mol, XLogP of 6.98, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-3-[[tert-butyl(dimethyl)silyl]oxymethyl]-3-methyl-5-[2-[[2-methyl-5-(1-methylpiperidin-4-yl)-3-pyridinyl]amino]pyrimidin-4-yl]-1,2-dihydroindole-7-carbonitrile is sourced from PubChem (CID 153471941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).