N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide

C26H28N4O2S — CID 150105810

IUPACN-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cc3ccc(-c4ccn(C)n4)cc3)c3ccsc3n2)CC(C)O1
InChIInChI=1S/C26H28N4O2S/c1-16-12-21(13-17(2)32-16)27-25(31)24-15-20(22-9-11-33-26(22)28-24)14-18-4-6-19(7-5-18)23-8-10-30(3)29-23/h4-11,15-17,21H,12-14H2,1-3H3,(H,27,31)
InChIKeyDWFCHVTYUBKCOS-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.97
Rot. Bonds5

About N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide

N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (PubChem CID 150105810) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
PubChem CID150105810
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC NameN-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCC1CC(NC(=O)c2cc(Cc3ccc(-c4ccn(C)n4)cc3)c3ccsc3n2)CC(C)O1
InChIInChI=1S/C26H28N4O2S/c1-16-12-21(13-17(2)32-16)27-25(31)24-15-20(22-9-11-33-26(22)28-24)14-18-4-6-19(7-5-18)23-8-10-30(3)29-23/h4-11,15-17,21H,12-14H2,1-3H3,(H,27,31)
InChIKeyDWFCHVTYUBKCOS-UHFFFAOYSA-N
XLogP4.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (CID 150105810) is N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide.
What is the SMILES notation for N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is CC1CC(NC(=O)c2cc(Cc3ccc(-c4ccn(C)n4)cc3)c3ccsc3n2)CC(C)O1.
What is the InChIKey of N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The InChIKey is DWFCHVTYUBKCOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-16-12-21(13-17(2)32-16)27-25(31)24-15-20(22-9-11-33-26(22)28-24)14-18-4-6-19(7-5-18)23-8-10-30(3)29-23/h4-11,15-17,21H,12-14H2,1-3H3,(H,27,31).
What are the key properties of N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide has a molecular weight of 460.60 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 150105810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).