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

C25H26N4O4 — CID 26231061

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

ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26231061) has the molecular formula C25H26N4O4 and a molecular weight of 446.51 g/mol. Its IUPAC name is ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• PubChem CID: 26231061
• Molecular Formula: C25H26N4O4
• Molecular Weight: 446.51 g/mol
• Exact Mass: 446.20
• IUPAC Name: ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
• SMILES: CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@@H]1COc3ccccc3C1)CC2
• InChI: InChI=1S/C25H26N4O4/c1-2-32-25(31)23-20-15-28(24(30)18-13-17-7-3-4-9-22(17)33-16-18)12-10-21(20)29(27-23)14-19-8-5-6-11-26-19/h3-9,11,18H,2,10,12-16H2,1H3/t18-/m0/s1
• InChIKey: JUZQGLOQKBANJQ-SFHVURJKSA-N
• XLogP: 2.64
• TPSA: 86.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	446.51
LogP ≤ 5	2.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26231061) is ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

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

The canonical SMILES for ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(Cc2ccccn2)c2c1CN(C(=O)[C@@H]1COc3ccccc3C1)CC2.

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

The InChIKey is JUZQGLOQKBANJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C25H26N4O4/c1-2-32-25(31)23-20-15-28(24(30)18-13-17-7-3-4-9-22(17)33-16-18)12-10-21(20)29(27-23)14-19-8-5-6-11-26-19/h3-9,11,18H,2,10,12-16H2,1H3/t18-/m0/s1.

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

ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 446.51 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(3S)-3,4-dihydro-2H-chromene-3-carbonyl]-1-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26231061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).