(6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

C22H25N5O2 — CID 26215263

About (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

(6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one (PubChem CID 26215263) has the molecular formula C22H25N5O2 and a molecular weight of 391.47 g/mol. Its IUPAC name is (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one.

Molecular Properties

• Compound Name: (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
• PubChem CID: 26215263
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.47 g/mol
• Exact Mass: 391.20
• IUPAC Name: (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one
• SMILES: O=C1CN(Cc2ccn[nH]2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1
• InChI: InChI=1S/C22H25N5O2/c28-22-16-26(13-20-8-10-24-25-20)14-21(29-17-18-5-2-1-3-6-18)15-27(22)12-19-7-4-9-23-11-19/h1-11,21H,12-17H2,(H,24,25)/t21-/m1/s1
• InChIKey: IXCGNVKHPWPALI-OAQYLSRUSA-N
• XLogP: 2.23
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.47
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one?

The IUPAC name of (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one (CID 26215263) is (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one.

What is the SMILES notation for (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one?

The canonical SMILES for (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one is O=C1CN(Cc2ccn[nH]2)C[C@@H](OCc2ccccc2)CN1Cc1cccnc1.

What is the InChIKey of (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one?

The InChIKey is IXCGNVKHPWPALI-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H25N5O2/c28-22-16-26(13-20-8-10-24-25-20)14-21(29-17-18-5-2-1-3-6-18)15-27(22)12-19-7-4-9-23-11-19/h1-11,21H,12-17H2,(H,24,25)/t21-/m1/s1.

What are the key properties of (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one?

(6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one has a molecular weight of 391.47 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (6R)-6-phenylmethoxy-4-(1H-pyrazol-5-ylmethyl)-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one is sourced from PubChem (CID 26215263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).