1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol

C22H27N3O2 — CID 135277705

About 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol

1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol (PubChem CID 135277705) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol.

Molecular Properties

• Compound Name: 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol
• PubChem CID: 135277705
• Molecular Formula: C22H27N3O2
• Molecular Weight: 365.48 g/mol
• Exact Mass: 365.21
• IUPAC Name: 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol
• SMILES: CCCOc1c(-c2cc3ccccn3n2)ccc2c1CC[C@H](C)N2C(C)O
• InChI: InChI=1S/C22H27N3O2/c1-4-13-27-22-18(20-14-17-7-5-6-12-24(17)23-20)10-11-21-19(22)9-8-15(2)25(21)16(3)26/h5-7,10-12,14-16,26H,4,8-9,13H2,1-3H3/t15-,16?/m0/s1
• InChIKey: PAARVZMHPUMOEN-VYRBHSGPSA-N
• XLogP: 4.27
• TPSA: 50.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.48
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol?

The IUPAC name of 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol (CID 135277705) is 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol.

What is the SMILES notation for 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol?

The canonical SMILES for 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol is CCCOc1c(-c2cc3ccccn3n2)ccc2c1CC[C@H](C)N2C(C)O.

What is the InChIKey of 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol?

The InChIKey is PAARVZMHPUMOEN-VYRBHSGPSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-13-27-22-18(20-14-17-7-5-6-12-24(17)23-20)10-11-21-19(22)9-8-15(2)25(21)16(3)26/h5-7,10-12,14-16,26H,4,8-9,13H2,1-3H3/t15-,16?/m0/s1.

What are the key properties of 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol?

1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol has a molecular weight of 365.48 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-methyl-5-propoxy-6-pyrazolo[1,5-a]pyridin-2-yl-3,4-dihydro-2H-quinolin-1-yl]ethanol is sourced from PubChem (CID 135277705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).