2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate

C25H35N7O4 — CID 175873921

About 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate

2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate (PubChem CID 175873921) has the molecular formula C25H35N7O4 and a molecular weight of 497.60 g/mol. Its IUPAC name is 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate.

Molecular Properties

• Compound Name: 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate
• PubChem CID: 175873921
• Molecular Formula: C25H35N7O4
• Molecular Weight: 497.60 g/mol
• Exact Mass: 497.28
• IUPAC Name: 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate
• SMILES: CCc1cnn2c(NCc3ccc(OCCOC(=O)NC)nc3)cc(N3CCCC[C@H]3CCO)nc12
• InChI: InChI=1S/C25H35N7O4/c1-3-19-17-29-32-21(14-22(30-24(19)32)31-10-5-4-6-20(31)9-11-33)27-15-18-7-8-23(28-16-18)35-12-13-36-25(34)26-2/h7-8,14,16-17,20,27,33H,3-6,9-13,15H2,1-2H3,(H,26,34)/t20-/m0/s1
• InChIKey: PSICQYYBEKWINH-FQEVSTJZSA-N
• XLogP: 2.77
• TPSA: 126.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.60
LogP ≤ 5	2.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate?

The IUPAC name of 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate (CID 175873921) is 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate.

What is the SMILES notation for 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate?

The canonical SMILES for 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate is CCc1cnn2c(NCc3ccc(OCCOC(=O)NC)nc3)cc(N3CCCC[C@H]3CCO)nc12.

What is the InChIKey of 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate?

The InChIKey is PSICQYYBEKWINH-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H35N7O4/c1-3-19-17-29-32-21(14-22(30-24(19)32)31-10-5-4-6-20(31)9-11-33)27-15-18-7-8-23(28-16-18)35-12-13-36-25(34)26-2/h7-8,14,16-17,20,27,33H,3-6,9-13,15H2,1-2H3,(H,26,34)/t20-/m0/s1.

What are the key properties of 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate?

2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate has a molecular weight of 497.60 g/mol, XLogP of 2.77, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[[3-ethyl-5-[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]pyrazolo[1,5-a]pyrimidin-7-yl]amino]methyl]-2-pyridinyl]oxy]ethyl N-methylcarbamate is sourced from PubChem (CID 175873921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).