2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide

C23H28N6O5S — CID 171762821

IUPAC2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1
InChIInChI=1S/C23H28N6O5S/c1-35(31,32)27-22(30)19-12-16-14-25-21(28-8-10-33-11-9-28)13-20(16)26-23(19)34-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30)
InChIKeyXHFHSJGRTWWWDK-UHFFFAOYSA-N
MW500.58 g/mol
LogP1.91
Rot. Bonds6

About 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide

2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide (PubChem CID 171762821) has the molecular formula C23H28N6O5S and a molecular weight of 500.58 g/mol. Its IUPAC name is 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
PubChem CID171762821
Molecular FormulaC23H28N6O5S
Molecular Weight500.58 g/mol
Exact Mass500.18
IUPAC Name2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide
SMILESCS(=O)(=O)NC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1
InChIInChI=1S/C23H28N6O5S/c1-35(31,32)27-22(30)19-12-16-14-25-21(28-8-10-33-11-9-28)13-20(16)26-23(19)34-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30)
InChIKeyXHFHSJGRTWWWDK-UHFFFAOYSA-N
XLogP1.91
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.58
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide (CID 171762821) is 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide is CS(=O)(=O)NC(=O)c1cc2cnc(N3CCOCC3)cc2nc1OC1CCC(n2ccnc2)CC1.
What is the InChIKey of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
The InChIKey is XHFHSJGRTWWWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O5S/c1-35(31,32)27-22(30)19-12-16-14-25-21(28-8-10-33-11-9-28)13-20(16)26-23(19)34-18-4-2-17(3-5-18)29-7-6-24-15-29/h6-7,12-15,17-18H,2-5,8-11H2,1H3,(H,27,30).
What are the key properties of 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide?
2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide has a molecular weight of 500.58 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-imidazol-1-ylcyclohexyl)oxy-N-methylsulfonyl-7-morpholin-4-yl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 171762821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).