N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide

C18H18N4O4S — CID 70772741

IUPACN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide
SMILESCn1nc(NC(=O)C2CCS(=O)(=O)C2)c2c(Oc3cccnc3)cccc21
InChIInChI=1S/C18H18N4O4S/c1-22-14-5-2-6-15(26-13-4-3-8-19-10-13)16(14)17(21-22)20-18(23)12-7-9-27(24,25)11-12/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,21,23)
InChIKeyWMCKFTPSDMGDMJ-UHFFFAOYSA-N
MW386.43 g/mol
LogP2.13
Rot. Bonds4

About N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide

N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 70772741) has the molecular formula C18H18N4O4S and a molecular weight of 386.43 g/mol. Its IUPAC name is N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide
PubChem CID70772741
Molecular FormulaC18H18N4O4S
Molecular Weight386.43 g/mol
Exact Mass386.10
IUPAC NameN-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide
SMILESCn1nc(NC(=O)C2CCS(=O)(=O)C2)c2c(Oc3cccnc3)cccc21
InChIInChI=1S/C18H18N4O4S/c1-22-14-5-2-6-15(26-13-4-3-8-19-10-13)16(14)17(21-22)20-18(23)12-7-9-27(24,25)11-12/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,21,23)
InChIKeyWMCKFTPSDMGDMJ-UHFFFAOYSA-N
XLogP2.13
TPSA103.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide (CID 70772741) is N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide is Cn1nc(NC(=O)C2CCS(=O)(=O)C2)c2c(Oc3cccnc3)cccc21.
What is the InChIKey of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is WMCKFTPSDMGDMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O4S/c1-22-14-5-2-6-15(26-13-4-3-8-19-10-13)16(14)17(21-22)20-18(23)12-7-9-27(24,25)11-12/h2-6,8,10,12H,7,9,11H2,1H3,(H,20,21,23).
What are the key properties of N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide?
N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 386.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-4-pyridin-3-yloxyindazol-3-yl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 70772741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).