(2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol

C25H28N6O3 — CID 69474064

About (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol

(2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol (PubChem CID 69474064) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol.

Molecular Properties

• Compound Name: (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol
• PubChem CID: 69474064
• Molecular Formula: C25H28N6O3
• Molecular Weight: 460.54 g/mol
• Exact Mass: 460.22
• IUPAC Name: (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol
• SMILES: Cc1ccc(Oc2ccc(Nc3nccc4[nH]nc(OCCN5CCC[C@@H]5O)c34)cc2C)cn1
• InChI: InChI=1S/C25H28N6O3/c1-16-14-18(6-8-21(16)34-19-7-5-17(2)27-15-19)28-24-23-20(9-10-26-24)29-30-25(23)33-13-12-31-11-3-4-22(31)32/h5-10,14-15,22,32H,3-4,11-13H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1
• InChIKey: CJJPOLQCQCDNLQ-QFIPXVFZSA-N
• XLogP: 4.30
• TPSA: 108.42 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	460.54
LogP ≤ 5	4.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol?

The IUPAC name of (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol (CID 69474064) is (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol.

What is the SMILES notation for (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol?

The canonical SMILES for (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol is Cc1ccc(Oc2ccc(Nc3nccc4[nH]nc(OCCN5CCC[C@@H]5O)c34)cc2C)cn1.

What is the InChIKey of (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol?

The InChIKey is CJJPOLQCQCDNLQ-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-16-14-18(6-8-21(16)34-19-7-5-17(2)27-15-19)28-24-23-20(9-10-26-24)29-30-25(23)33-13-12-31-11-3-4-22(31)32/h5-10,14-15,22,32H,3-4,11-13H2,1-2H3,(H,26,28)(H,29,30)/t22-/m0/s1.

What are the key properties of (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol?

(2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol has a molecular weight of 460.54 g/mol, XLogP of 4.30, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-1-[2-[[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-1H-pyrazolo[4,3-c]pyridin-3-yl]oxy]ethyl]pyrrolidin-2-ol is sourced from PubChem (CID 69474064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).