ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C22H23N5O4 — CID 26146857

About ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26146857) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26146857
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)c1cccnc1OC)CC2
• InChI: InChI=1S/C22H23N5O4/c1-3-31-22(29)19-17-14-26(21(28)16-5-4-9-24-20(16)30-2)12-8-18(17)27(25-19)13-15-6-10-23-11-7-15/h4-7,9-11H,3,8,12-14H2,1-2H3
• InChIKey: YWSWIDLQQNVEIM-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 99.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The IUPAC name of ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26146857) is ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

What is the SMILES notation for ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The canonical SMILES for ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccncc2)c2c1CN(C(=O)c1cccnc1OC)CC2.

What is the InChIKey of ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

The InChIKey is YWSWIDLQQNVEIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-3-31-22(29)19-17-14-26(21(28)16-5-4-9-24-20(16)30-2)12-8-18(17)27(25-19)13-15-6-10-23-11-7-15/h4-7,9-11H,3,8,12-14H2,1-2H3.

What are the key properties of ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?

ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 421.46 g/mol, XLogP of 2.11, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-(2-methoxypyridine-3-carbonyl)-1-(pyridin-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26146857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).