N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

C23H27Cl2N5O3 — CID 68907992

About N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride

N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (PubChem CID 68907992) has the molecular formula C23H27Cl2N5O3 and a molecular weight of 492.41 g/mol. Its IUPAC name is N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• PubChem CID: 68907992
• Molecular Formula: C23H27Cl2N5O3
• Molecular Weight: 492.41 g/mol
• Exact Mass: 491.15
• IUPAC Name: N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride
• SMILES: CN1CCc2nc(C(=O)N[C@H]3CCCCC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)oc2C1.Cl
• InChI: InChI=1S/C23H26ClN5O3.ClH/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19;/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31);1H/t16?,17-;/m0./s1
• InChIKey: IFWVVAWDWLPUCO-KRNWZFANSA-N
• XLogP: 3.69
• TPSA: 103.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.41
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The IUPAC name of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride (CID 68907992) is N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride.

What is the SMILES notation for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The canonical SMILES for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is CN1CCc2nc(C(=O)N[C@H]3CCCCC3NC(=O)c3cc4cc(Cl)ccc4[nH]3)oc2C1.Cl.

What is the InChIKey of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

The InChIKey is IFWVVAWDWLPUCO-KRNWZFANSA-N. The full InChI is InChI=1S/C23H26ClN5O3.ClH/c1-29-9-8-18-20(12-29)32-23(28-18)22(31)27-17-5-3-2-4-16(17)26-21(30)19-11-13-10-14(24)6-7-15(13)25-19;/h6-7,10-11,16-17,25H,2-5,8-9,12H2,1H3,(H,26,30)(H,27,31);1H/t16?,17-;/m0./s1.

What are the key properties of N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride?

N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride has a molecular weight of 492.41 g/mol, XLogP of 3.69, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S,2S)-2-[(5-chloro-1H-indole-2-carbonyl)amino]cyclohexyl]-5-methyl-6,7-dihydro-4H-[1,3]oxazolo[5,4-c]pyridine-2-carboxamide;hydrochloride is sourced from PubChem (CID 68907992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).