2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride

C26H40ClN5O2Si — CID 169015657

About 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride

2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride (PubChem CID 169015657) has the molecular formula C26H40ClN5O2Si and a molecular weight of 518.18 g/mol. Its IUPAC name is 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride.

Molecular Properties

• Compound Name: 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride
• PubChem CID: 169015657
• Molecular Formula: C26H40ClN5O2Si
• Molecular Weight: 518.18 g/mol
• Exact Mass: 517.26
• IUPAC Name: 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride
• SMILES: CCc1c(-c2ccc(NC(=O)C(N)=C(C3CC3)C3CC3)cn2)c(C)nn1COCC[Si](C)(C)C.Cl
• InChI: InChI=1S/C26H39N5O2Si.ClH/c1-6-22-23(17(2)30-31(22)16-33-13-14-34(3,4)5)21-12-11-20(15-28-21)29-26(32)25(27)24(18-7-8-18)19-9-10-19;/h11-12,15,18-19H,6-10,13-14,16,27H2,1-5H3,(H,29,32);1H
• InChIKey: CTBCMUAXUSSYTG-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 95.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	518.18
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride?

The IUPAC name of 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride (CID 169015657) is 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride.

What is the SMILES notation for 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride?

The canonical SMILES for 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride is CCc1c(-c2ccc(NC(=O)C(N)=C(C3CC3)C3CC3)cn2)c(C)nn1COCC[Si](C)(C)C.Cl.

What is the InChIKey of 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride?

The InChIKey is CTBCMUAXUSSYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N5O2Si.ClH/c1-6-22-23(17(2)30-31(22)16-33-13-14-34(3,4)5)21-12-11-20(15-28-21)29-26(32)25(27)24(18-7-8-18)19-9-10-19;/h11-12,15,18-19H,6-10,13-14,16,27H2,1-5H3,(H,29,32);1H.

What are the key properties of 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride?

2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride has a molecular weight of 518.18 g/mol, XLogP of 5.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-3,3-dicyclopropyl-N-[6-[5-ethyl-3-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-4-yl]-3-pyridinyl]prop-2-enamide;hydrochloride is sourced from PubChem (CID 169015657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).