5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile

C27H36N10OSi — CID 142560002

About 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile

5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile (PubChem CID 142560002) has the molecular formula C27H36N10OSi and a molecular weight of 544.74 g/mol. Its IUPAC name is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile
• PubChem CID: 142560002
• Molecular Formula: C27H36N10OSi
• Molecular Weight: 544.74 g/mol
• Exact Mass: 544.28
• IUPAC Name: 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile
• SMILES: Cc1cc(C#N)ncc1N(CC(C)O[Si](C)(C)C(C)(C)C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1
• InChI: InChI=1S/C27H36N10OSi/c1-17-9-19(12-28)30-13-21(17)37(14-18(2)38-39(7,8)27(3,4)5)24-10-20(25-26(35-24)36(6)16-33-25)34-23-11-22(29)31-15-32-23/h9-11,13,15-16,18H,14H2,1-8H3,(H3,29,31,32,34,35)
• InChIKey: CTHHBSRYFUIOGO-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 143.69 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	544.74
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile?

The IUPAC name of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile (CID 142560002) is 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile.

What is the SMILES notation for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile?

The canonical SMILES for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile is Cc1cc(C#N)ncc1N(CC(C)O[Si](C)(C)C(C)(C)C)c1cc(Nc2cc(N)ncn2)c2ncn(C)c2n1.

What is the InChIKey of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile?

The InChIKey is CTHHBSRYFUIOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N10OSi/c1-17-9-19(12-28)30-13-21(17)37(14-18(2)38-39(7,8)27(3,4)5)24-10-20(25-26(35-24)36(6)16-33-25)34-23-11-22(29)31-15-32-23/h9-11,13,15-16,18H,14H2,1-8H3,(H3,29,31,32,34,35).

What are the key properties of 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile?

5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile has a molecular weight of 544.74 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[7-[(6-aminopyrimidin-4-yl)amino]-3-methylimidazo[4,5-b]pyridin-5-yl]-[2-[tert-butyl(dimethyl)silyl]oxypropyl]amino]-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 142560002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).