2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide

C21H26N6O5S — CID 174334214

IUPAC2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1coc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C21H26N6O5S/c1-31-19-11-16-14(12-27(25-16)15-2-4-22-5-3-15)10-17(19)23-20(28)18-13-32-21(24-18)26-6-8-33(29,30)9-7-26/h10-13,15,22H,2-9H2,1H3,(H,23,28)
InChIKeyPJBLOCANNLUQNS-UHFFFAOYSA-N
MW474.54 g/mol
LogP1.44
Rot. Bonds5

About 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide

2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 174334214) has the molecular formula C21H26N6O5S and a molecular weight of 474.54 g/mol. Its IUPAC name is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID174334214
Molecular FormulaC21H26N6O5S
Molecular Weight474.54 g/mol
Exact Mass474.17
IUPAC Name2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1coc(N2CCS(=O)(=O)CC2)n1
InChIInChI=1S/C21H26N6O5S/c1-31-19-11-16-14(12-27(25-16)15-2-4-22-5-3-15)10-17(19)23-20(28)18-13-32-21(24-18)26-6-8-33(29,30)9-7-26/h10-13,15,22H,2-9H2,1H3,(H,23,28)
InChIKeyPJBLOCANNLUQNS-UHFFFAOYSA-N
XLogP1.44
TPSA131.59 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-6-(trifluoromethyl)pyridine-2-carboxamide;hydrochloride
CID 175973046
N-[2-[4-(3,9-diazaspiro[5.5]undecan-3-yl)cyclohexyl]-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051651
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 170240031
tert-butyl 4-[6-methoxy-5-[(2-pyridin-4-yl-1,3-oxazole-4-carbonyl)amino]indazol-2-yl]piperidine-1-carboxylate
CID 174334228
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]pyrimidine-4-carboxamide
CID 155448826
N-[6-methoxy-2-[1-(3-piperidin-4-ylpropyl)piperidin-4-yl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051500
N-[6-(2-methoxyethoxy)-2-piperidin-4-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 163769872
N-[6-methoxy-2-(4-methylcyclohexyl)indazol-5-yl]-2-methylpyrimidine-4-carboxamide
CID 170239920
4-fluoro-N-[6-methoxy-2-(4-propan-2-ylcyclohexyl)indazol-5-yl]benzamide
CID 167375489
N-[2-(4-ethylcyclohexyl)-6-methoxyindazol-5-yl]pyridine-2-carboxamide
CID 155448816
N-[2-(4-formylcyclohexyl)-6-methoxyindazol-5-yl]-6-methylpyridine-2-carboxamide
CID 155438016
N-[6-methoxy-2-[4-[[methyl(2-piperidin-4-ylethyl)amino]methyl]cyclohexyl]indazol-5-yl]-6-methylpyridine-2-carboxamide
CID 170051583

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide (CID 174334214) is 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide is COc1cc2nn(C3CCNCC3)cc2cc1NC(=O)c1coc(N2CCS(=O)(=O)CC2)n1.
What is the InChIKey of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is PJBLOCANNLUQNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O5S/c1-31-19-11-16-14(12-27(25-16)15-2-4-22-5-3-15)10-17(19)23-20(28)18-13-32-21(24-18)26-6-8-33(29,30)9-7-26/h10-13,15,22H,2-9H2,1H3,(H,23,28).
What are the key properties of 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide?
2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 474.54 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(6-methoxy-2-piperidin-4-ylindazol-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 174334214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).