sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride

C22H24ClN4NaO4 — CID 173464699

About sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride

sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride (PubChem CID 173464699) has the molecular formula C22H24ClN4NaO4 and a molecular weight of 466.90 g/mol. Its IUPAC name is sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride.

Molecular Properties

• Compound Name: sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride
• PubChem CID: 173464699
• Molecular Formula: C22H24ClN4NaO4
• Molecular Weight: 466.90 g/mol
• Exact Mass: 466.14
• IUPAC Name: sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride
• SMILES: CC(C)Oc1ncc(-c2nc(-c3ccc(N[C@H]4CC[C@@H](C(=O)O)C4)cc3)no2)cc1Cl.[H-].[Na+]
• InChI: InChI=1S/C22H23ClN4O4.Na.H/c1-12(2)30-21-18(23)10-15(11-24-21)20-26-19(27-31-20)13-3-6-16(7-4-13)25-17-8-5-14(9-17)22(28)29;;/h3-4,6-7,10-12,14,17,25H,5,8-9H2,1-2H3,(H,28,29);;/q;+1;-1/t14-,17+;;/m1../s1
• InChIKey: SJYVWYQDABTQOW-YSEASCLGSA-N
• XLogP: 2.02
• TPSA: 110.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	466.90
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride?

The IUPAC name of sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride (CID 173464699) is sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride.

What is the SMILES notation for sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride?

The canonical SMILES for sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride is CC(C)Oc1ncc(-c2nc(-c3ccc(N[C@H]4CC[C@@H](C(=O)O)C4)cc3)no2)cc1Cl.[H-].[Na+].

What is the InChIKey of sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride?

The InChIKey is SJYVWYQDABTQOW-YSEASCLGSA-N. The full InChI is InChI=1S/C22H23ClN4O4.Na.H/c1-12(2)30-21-18(23)10-15(11-24-21)20-26-19(27-31-20)13-3-6-16(7-4-13)25-17-8-5-14(9-17)22(28)29;;/h3-4,6-7,10-12,14,17,25H,5,8-9H2,1-2H3,(H,28,29);;/q;+1;-1/t14-,17+;;/m1../s1.

What are the key properties of sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride?

sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride has a molecular weight of 466.90 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;cis-(1R,3S)-3-[4-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]anilino]cyclopentane-1-carboxylic acid;hydride is sourced from PubChem (CID 173464699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).