4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide

C38H58FN7O4Si — CID 175433680

About 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide

4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide (PubChem CID 175433680) has the molecular formula C38H58FN7O4Si and a molecular weight of 724.01 g/mol. Its IUPAC name is 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide
• PubChem CID: 175433680
• Molecular Formula: C38H58FN7O4Si
• Molecular Weight: 724.01 g/mol
• Exact Mass: 723.43
• IUPAC Name: 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide
• SMILES: Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)C(c2cnn(C(C)CO)c2C(N)=O)C(C2CCCCC2)C2CCCCC2)nc1F
• InChI: InChI=1S/C38H58FN7O4Si/c1-24(22-47)46-35(37(40)48)30(21-41-46)34(33(27-13-9-7-10-14-27)28-15-11-8-12-16-28)38(49)43-31-18-17-29(36(39)42-31)32-25(2)44-45(26(32)3)23-50-19-20-51(4,5)6/h17-18,21,24,27-28,33-34,47H,7-16,19-20,22-23H2,1-6H3,(H2,40,48)(H,42,43,49)
• InChIKey: NYLWRVHARAKNQZ-UHFFFAOYSA-N
• XLogP: 7.36
• TPSA: 150.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	724.01
LogP ≤ 5	7.36
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide?

The IUPAC name of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide (CID 175433680) is 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide.

What is the SMILES notation for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide?

The canonical SMILES for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide is Cc1nn(COCC[Si](C)(C)C)c(C)c1-c1ccc(NC(=O)C(c2cnn(C(C)CO)c2C(N)=O)C(C2CCCCC2)C2CCCCC2)nc1F.

What is the InChIKey of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide?

The InChIKey is NYLWRVHARAKNQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H58FN7O4Si/c1-24(22-47)46-35(37(40)48)30(21-41-46)34(33(27-13-9-7-10-14-27)28-15-11-8-12-16-28)38(49)43-31-18-17-29(36(39)42-31)32-25(2)44-45(26(32)3)23-50-19-20-51(4,5)6/h17-18,21,24,27-28,33-34,47H,7-16,19-20,22-23H2,1-6H3,(H2,40,48)(H,42,43,49).

What are the key properties of 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide?

4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide has a molecular weight of 724.01 g/mol, XLogP of 7.36, 15 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1,1-dicyclohexyl-3-[[5-[3,5-dimethyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-6-fluoro-2-pyridinyl]amino]-3-oxopropan-2-yl]-1-(1-hydroxypropan-2-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 175433680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).