morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

C22H25N5O2S — CID 26147078

About morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone

morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (PubChem CID 26147078) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

Molecular Properties

• Compound Name: morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
• PubChem CID: 26147078
• Molecular Formula: C22H25N5O2S
• Molecular Weight: 423.54 g/mol
• Exact Mass: 423.17
• IUPAC Name: morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone
• SMILES: O=C(c1nn(Cc2ccccn2)c2c1CN(Cc1ccsc1)CC2)N1CCOCC1
• InChI: InChI=1S/C22H25N5O2S/c28-22(26-8-10-29-11-9-26)21-19-15-25(13-17-5-12-30-16-17)7-4-20(19)27(24-21)14-18-3-1-2-6-23-18/h1-3,5-6,12,16H,4,7-11,13-15H2
• InChIKey: NOWLYSSZNIGQAV-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 63.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.54
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?

The IUPAC name of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone (CID 26147078) is morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone.

What is the SMILES notation for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?

The canonical SMILES for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is O=C(c1nn(Cc2ccccn2)c2c1CN(Cc1ccsc1)CC2)N1CCOCC1.

What is the InChIKey of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?

The InChIKey is NOWLYSSZNIGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c28-22(26-8-10-29-11-9-26)21-19-15-25(13-17-5-12-30-16-17)7-4-20(19)27(24-21)14-18-3-1-2-6-23-18/h1-3,5-6,12,16H,4,7-11,13-15H2.

What are the key properties of morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone?

morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone has a molecular weight of 423.54 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for morpholin-4-yl-[1-(pyridin-2-ylmethyl)-5-(thiophen-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 26147078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).