7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine

C51H57N9O5Si — CID 177195386

About 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine

7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine (PubChem CID 177195386) has the molecular formula C51H57N9O5Si and a molecular weight of 904.16 g/mol. Its IUPAC name is 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine.

Molecular Properties

• Compound Name: 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine
• PubChem CID: 177195386
• Molecular Formula: C51H57N9O5Si
• Molecular Weight: 904.16 g/mol
• Exact Mass: 903.43
• IUPAC Name: 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine
• SMILES: COc1ccc(CNc2ncnc3cc(N(CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c4ccn(C)n4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1
• InChI: InChI=1S/C51H57N9O5Si/c1-35-21-24-42-40(33-55-60(42)46-20-14-15-28-63-46)48(35)65-50-47-41(53-34-54-49(47)52-32-36-22-23-37(61-6)30-43(36)62-7)31-45(56-50)59(44-25-26-58(5)57-44)27-29-64-66(51(2,3)4,38-16-10-8-11-17-38)39-18-12-9-13-19-39/h8-13,16-19,21-26,30-31,33-34,46H,14-15,20,27-29,32H2,1-7H3,(H,52,53,54)
• InChIKey: NAEBKYZTOMCNQR-UHFFFAOYSA-N
• XLogP: 9.25
• TPSA: 135.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 16
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	904.16
LogP ≤ 5	9.25
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?

The IUPAC name of 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine (CID 177195386) is 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine.

What is the SMILES notation for 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?

The canonical SMILES for 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine is COc1ccc(CNc2ncnc3cc(N(CCO[Si](c4ccccc4)(c4ccccc4)C(C)(C)C)c4ccn(C)n4)nc(Oc4c(C)ccc5c4cnn5C4CCCCO4)c23)c(OC)c1.

What is the InChIKey of 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?

The InChIKey is NAEBKYZTOMCNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H57N9O5Si/c1-35-21-24-42-40(33-55-60(42)46-20-14-15-28-63-46)48(35)65-50-47-41(53-34-54-49(47)52-32-36-22-23-37(61-6)30-43(36)62-7)31-45(56-50)59(44-25-26-58(5)57-44)27-29-64-66(51(2,3)4,38-16-10-8-11-17-38)39-18-12-9-13-19-39/h8-13,16-19,21-26,30-31,33-34,46H,14-15,20,27-29,32H2,1-7H3,(H,52,53,54).

What are the key properties of 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine?

7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine has a molecular weight of 904.16 g/mol, XLogP of 9.25, 16 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 7-N-[2-[tert-butyl(diphenyl)silyl]oxyethyl]-4-N-[(2,4-dimethoxyphenyl)methyl]-5-[5-methyl-1-(oxan-2-yl)indazol-4-yl]oxy-7-N-(1-methylpyrazol-3-yl)pyrido[4,3-d]pyrimidine-4,7-diamine is sourced from PubChem (CID 177195386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).