N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde

C25H32F3N7O2S — CID 178124784

About N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde (PubChem CID 178124784) has the molecular formula C25H32F3N7O2S and a molecular weight of 551.64 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde.

Molecular Properties

• Compound Name: N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde
• PubChem CID: 178124784
• Molecular Formula: C25H32F3N7O2S
• Molecular Weight: 551.64 g/mol
• Exact Mass: 551.23
• IUPAC Name: N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde
• SMILES: CNCC#Cc1nn2c(NC3CCN(CCOC)CC3)cccc2c1SC(F)(F)F.Cn1cc(C=O)cn1
• InChI: InChI=1S/C20H26F3N5OS.C5H6N2O/c1-24-10-4-5-16-19(30-20(21,22)23)17-6-3-7-18(28(17)26-16)25-15-8-11-27(12-9-15)13-14-29-2;1-7-3-5(4-8)2-6-7/h3,6-7,15,24-25H,8-14H2,1-2H3;2-4H,1H3
• InChIKey: SSUIMQIZKUXOIC-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 88.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	551.64
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde?

The IUPAC name of N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde (CID 178124784) is N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde.

What is the SMILES notation for N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde?

The canonical SMILES for N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde is CNCC#Cc1nn2c(NC3CCN(CCOC)CC3)cccc2c1SC(F)(F)F.Cn1cc(C=O)cn1.

What is the InChIKey of N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde?

The InChIKey is SSUIMQIZKUXOIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3N5OS.C5H6N2O/c1-24-10-4-5-16-19(30-20(21,22)23)17-6-3-7-18(28(17)26-16)25-15-8-11-27(12-9-15)13-14-29-2;1-7-3-5(4-8)2-6-7/h3,6-7,15,24-25H,8-14H2,1-2H3;2-4H,1H3.

What are the key properties of N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde?

N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde has a molecular weight of 551.64 g/mol, XLogP of 3.27, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-methoxyethyl)piperidin-4-yl]-2-[3-(methylamino)prop-1-ynyl]-3-(trifluoromethylsulfanyl)pyrazolo[1,5-a]pyridin-7-amine;1-methylpyrazole-4-carbaldehyde is sourced from PubChem (CID 178124784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).