3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide

C30H35N7O3 — CID 126717127

About 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide

3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide (PubChem CID 126717127) has the molecular formula C30H35N7O3 and a molecular weight of 541.66 g/mol. Its IUPAC name is 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide.

Molecular Properties

• Compound Name: 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide
• PubChem CID: 126717127
• Molecular Formula: C30H35N7O3
• Molecular Weight: 541.66 g/mol
• Exact Mass: 541.28
• IUPAC Name: 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide
• SMILES: Cn1ncc2cc(N3CCC(CN(C(=O)C4CCCC(O)C4)c4cncc(/C=C/c5ncco5)n4)CC3)ccc21
• InChI: InChI=1S/C30H35N7O3/c1-35-27-7-6-25(15-23(27)17-33-35)36-12-9-21(10-13-36)20-37(30(39)22-3-2-4-26(38)16-22)28-19-31-18-24(34-28)5-8-29-32-11-14-40-29/h5-8,11,14-15,17-19,21-22,26,38H,2-4,9-10,12-13,16,20H2,1H3/b8-5+
• InChIKey: RAVCDYPKZAMJIT-VMPITWQZSA-N
• XLogP: 4.32
• TPSA: 113.41 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	541.66
LogP ≤ 5	4.32
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide?

The IUPAC name of 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide (CID 126717127) is 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide.

What is the SMILES notation for 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide?

The canonical SMILES for 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide is Cn1ncc2cc(N3CCC(CN(C(=O)C4CCCC(O)C4)c4cncc(/C=C/c5ncco5)n4)CC3)ccc21.

What is the InChIKey of 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide?

The InChIKey is RAVCDYPKZAMJIT-VMPITWQZSA-N. The full InChI is InChI=1S/C30H35N7O3/c1-35-27-7-6-25(15-23(27)17-33-35)36-12-9-21(10-13-36)20-37(30(39)22-3-2-4-26(38)16-22)28-19-31-18-24(34-28)5-8-29-32-11-14-40-29/h5-8,11,14-15,17-19,21-22,26,38H,2-4,9-10,12-13,16,20H2,1H3/b8-5+.

What are the key properties of 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide?

3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide has a molecular weight of 541.66 g/mol, XLogP of 4.32, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-hydroxy-N-[[1-(1-methylindazol-5-yl)piperidin-4-yl]methyl]-N-[6-[(E)-2-(1,3-oxazol-2-yl)ethenyl]pyrazin-2-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 126717127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).