N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide

C23H24ClN5O2 — CID 171631517

About N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide (PubChem CID 171631517) has the molecular formula C23H24ClN5O2 and a molecular weight of 437.93 g/mol. Its IUPAC name is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide
• PubChem CID: 171631517
• Molecular Formula: C23H24ClN5O2
• Molecular Weight: 437.93 g/mol
• Exact Mass: 437.16
• IUPAC Name: N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide
• SMILES: C[C@H](NC(=O)c1ccc(-n2ncc3c(Cl)cccc32)nc1)C(=O)N1CCC2(CC1)CC2
• InChI: InChI=1S/C23H24ClN5O2/c1-15(22(31)28-11-9-23(7-8-23)10-12-28)27-21(30)16-5-6-20(25-13-16)29-19-4-2-3-18(24)17(19)14-26-29/h2-6,13-15H,7-12H2,1H3,(H,27,30)/t15-/m0/s1
• InChIKey: RIUNGHAQSXEFBE-HNNXBMFYSA-N
• XLogP: 3.59
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.93
LogP ≤ 5	3.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide?

The IUPAC name of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide (CID 171631517) is N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide.

What is the SMILES notation for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide?

The canonical SMILES for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide is C[C@H](NC(=O)c1ccc(-n2ncc3c(Cl)cccc32)nc1)C(=O)N1CCC2(CC1)CC2.

What is the InChIKey of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide?

The InChIKey is RIUNGHAQSXEFBE-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H24ClN5O2/c1-15(22(31)28-11-9-23(7-8-23)10-12-28)27-21(30)16-5-6-20(25-13-16)29-19-4-2-3-18(24)17(19)14-26-29/h2-6,13-15H,7-12H2,1H3,(H,27,30)/t15-/m0/s1.

What are the key properties of N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide?

N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide has a molecular weight of 437.93 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-1-(6-azaspiro[2.5]octan-6-yl)-1-oxopropan-2-yl]-6-(4-chloroindazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 171631517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).