ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C22H27N3O5 — CID 26142747

About ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26142747) has the molecular formula C22H27N3O5 and a molecular weight of 413.47 g/mol. Its IUPAC name is ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26142747
• Molecular Formula: C22H27N3O5
• Molecular Weight: 413.47 g/mol
• Exact Mass: 413.20
• IUPAC Name: ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)[C@@H]1CCOC1)CC2
• InChI: InChI=1S/C22H27N3O5/c1-3-30-22(27)20-18-13-24(21(26)16-9-11-29-14-16)10-8-19(18)25(23-20)12-15-4-6-17(28-2)7-5-15/h4-7,16H,3,8-14H2,1-2H3/t16-/m1/s1
• InChIKey: OTOCZXGBMLISAB-MRXNPFEDSA-N
• XLogP: 2.04
• TPSA: 82.89 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.47
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26142747) is ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccc(OC)cc2)c2c1CN(C(=O)[C@@H]1CCOC1)CC2.

What is the InChIKey of ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is OTOCZXGBMLISAB-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H27N3O5/c1-3-30-22(27)20-18-13-24(21(26)16-9-11-29-14-16)10-8-19(18)25(23-20)12-15-4-6-17(28-2)7-5-15/h4-7,16H,3,8-14H2,1-2H3/t16-/m1/s1.

What are the key properties of ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 413.47 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-[(4-methoxyphenyl)methyl]-5-[(3R)-oxolane-3-carbonyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26142747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).