ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C24H30N4O2 — CID 26223058

About ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26223058) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26223058
• Molecular Formula: C24H30N4O2
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.24
• IUPAC Name: ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ccnc3ccccc13)CC2
• InChI: InChI=1S/C24H30N4O2/c1-4-30-24(29)23-20-16-27(13-11-22(20)28(26-23)14-10-17(2)3)15-18-9-12-25-21-8-6-5-7-19(18)21/h5-9,12,17H,4,10-11,13-16H2,1-3H3
• InChIKey: DYIHJLUEWYZSLG-UHFFFAOYSA-N
• XLogP: 4.21
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26223058) is ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CCC(C)C)c2c1CN(Cc1ccnc3ccccc13)CC2.

What is the InChIKey of ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is DYIHJLUEWYZSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-4-30-24(29)23-20-16-27(13-11-22(20)28(26-23)14-10-17(2)3)15-18-9-12-25-21-8-6-5-7-19(18)21/h5-9,12,17H,4,10-11,13-16H2,1-3H3.

What are the key properties of ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 406.53 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 1-(3-methylbutyl)-5-(quinolin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26223058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).