2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

C50H55ClN10O4Si2 — CID 158367773

About 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine

2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 158367773) has the molecular formula C50H55ClN10O4Si2 and a molecular weight of 951.68 g/mol. Its IUPAC name is 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

• Compound Name: 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• PubChem CID: 158367773
• Molecular Formula: C50H55ClN10O4Si2
• Molecular Weight: 951.68 g/mol
• Exact Mass: 950.36
• IUPAC Name: 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine
• SMILES: C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12
• InChI: InChI=1S/C27H38ClN5O2Si2.C23H17N5O2/c1-36(2,3)13-11-34-19-32(20-35-12-14-37(4,5)6)26-16-25(28)31-27-23(18-30-33(26)27)22-15-21-9-7-8-10-24(21)29-17-22;24-21-11-20(15-7-5-14(6-8-15)9-22(29)30)27-23-18(13-26-28(21)23)17-10-16-3-1-2-4-19(16)25-12-17/h7-10,15-18H,11-14,19-20H2,1-6H3;1-8,10-13H,9,24H2,(H,29,30)
• InChIKey: GUFXEKVALMUGIO-UHFFFAOYSA-N
• XLogP: 10.85
• TPSA: 171.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 16
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	951.68
LogP ≤ 5	10.85
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The IUPAC name of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine (CID 158367773) is 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine.

What is the SMILES notation for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The canonical SMILES for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is C[Si](C)(C)CCOCN(COCC[Si](C)(C)C)c1cc(Cl)nc2c(-c3cnc4ccccc4c3)cnn12.Nc1cc(-c2ccc(CC(=O)O)cc2)nc2c(-c3cnc4ccccc4c3)cnn12.

What is the InChIKey of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

The InChIKey is GUFXEKVALMUGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38ClN5O2Si2.C23H17N5O2/c1-36(2,3)13-11-34-19-32(20-35-12-14-37(4,5)6)26-16-25(28)31-27-23(18-30-33(26)27)22-15-21-9-7-8-10-24(21)29-17-22;24-21-11-20(15-7-5-14(6-8-15)9-22(29)30)27-23-18(13-26-28(21)23)17-10-16-3-1-2-4-19(16)25-12-17/h7-10,15-18H,11-14,19-20H2,1-6H3;1-8,10-13H,9,24H2,(H,29,30).

What are the key properties of 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine?

2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 951.68 g/mol, XLogP of 10.85, 16 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(7-amino-3-quinolin-3-ylpyrazolo[1,5-a]pyrimidin-5-yl)phenyl]acetic acid;5-chloro-3-quinolin-3-yl-N,N-bis(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 158367773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).