1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide

C23H25N7O4S — CID 10391068

IUPAC1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1
InChIInChI=1S/C23H25N7O4S/c1-34-19-3-2-15-20(28-19)16(6-9-24-15)27-22(32)23(33)7-4-13(5-8-23)25-11-14-10-17-21(30-29-14)35-12-18(31)26-17/h2-3,6,9-10,13,25,33H,4-5,7-8,11-12H2,1H3,(H,26,31)(H,24,27,32)
InChIKeyXTTRVGFRPVHYSP-UHFFFAOYSA-N
MW495.57 g/mol
LogP1.87
Rot. Bonds6

About 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide

1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide (PubChem CID 10391068) has the molecular formula C23H25N7O4S and a molecular weight of 495.57 g/mol. Its IUPAC name is 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
PubChem CID10391068
Molecular FormulaC23H25N7O4S
Molecular Weight495.57 g/mol
Exact Mass495.17
IUPAC Name1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide
SMILESCOc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1
InChIInChI=1S/C23H25N7O4S/c1-34-19-3-2-15-20(28-19)16(6-9-24-15)27-22(32)23(33)7-4-13(5-8-23)25-11-14-10-17-21(30-29-14)35-12-18(31)26-17/h2-3,6,9-10,13,25,33H,4-5,7-8,11-12H2,1H3,(H,26,31)(H,24,27,32)
InChIKeyXTTRVGFRPVHYSP-UHFFFAOYSA-N
XLogP1.87
TPSA151.25 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.57
LogP ≤ 51.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide (CID 10391068) is 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide is COc1ccc2nccc(NC(=O)C3(O)CCC(NCc4cc5c(nn4)SCC(=O)N5)CC3)c2n1.
What is the InChIKey of 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
The InChIKey is XTTRVGFRPVHYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O4S/c1-34-19-3-2-15-20(28-19)16(6-9-24-15)27-22(32)23(33)7-4-13(5-8-23)25-11-14-10-17-21(30-29-14)35-12-18(31)26-17/h2-3,6,9-10,13,25,33H,4-5,7-8,11-12H2,1H3,(H,26,31)(H,24,27,32).
What are the key properties of 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide?
1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide has a molecular weight of 495.57 g/mol, XLogP of 1.87, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-(6-methoxy-1,5-naphthyridin-4-yl)-4-[(6-oxo-5H-pyridazino[3,4-b][1,4]thiazin-3-yl)methylamino]cyclohexane-1-carboxamide is sourced from PubChem (CID 10391068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).