5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide

C25H32N6O5S — CID 165113460

IUPAC5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1
InChIInChI=1S/C25H32N6O5S/c1-2-13-37(33,34)29-24(32)18-14-21-22(27-16-18)15-23(30-9-11-35-12-10-30)28-25(21)36-20-5-3-19(4-6-20)31-8-7-26-17-31/h7-8,14-17,19-20H,2-6,9-13H2,1H3,(H,29,32)
InChIKeyOBTISOMCISCSRU-UHFFFAOYSA-N
MW528.64 g/mol
LogP2.70
Rot. Bonds8

About 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide

5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide (PubChem CID 165113460) has the molecular formula C25H32N6O5S and a molecular weight of 528.64 g/mol. Its IUPAC name is 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide
PubChem CID165113460
Molecular FormulaC25H32N6O5S
Molecular Weight528.64 g/mol
Exact Mass528.22
IUPAC Name5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide
SMILESCCCS(=O)(=O)NC(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1
InChIInChI=1S/C25H32N6O5S/c1-2-13-37(33,34)29-24(32)18-14-21-22(27-16-18)15-23(30-9-11-35-12-10-30)28-25(21)36-20-5-3-19(4-6-20)31-8-7-26-17-31/h7-8,14-17,19-20H,2-6,9-13H2,1H3,(H,29,32)
InChIKeyOBTISOMCISCSRU-UHFFFAOYSA-N
XLogP2.70
TPSA128.54 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide (CID 165113460) is 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide is CCCS(=O)(=O)NC(=O)c1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1.
What is the InChIKey of 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide?
The InChIKey is OBTISOMCISCSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O5S/c1-2-13-37(33,34)29-24(32)18-14-21-22(27-16-18)15-23(30-9-11-35-12-10-30)28-25(21)36-20-5-3-19(4-6-20)31-8-7-26-17-31/h7-8,14-17,19-20H,2-6,9-13H2,1H3,(H,29,32).
What are the key properties of 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide?
5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide has a molecular weight of 528.64 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-N-propylsulfonyl-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 165113460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).