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

C26H28N4O2S — CID 150713794

IUPACN-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4sccc34)cc2)n1
InChIInChI=1S/C26H28N4O2S/c1-26(2)16-20(9-12-32-26)27-24(31)23-15-19(21-10-13-33-25(21)28-23)14-17-4-6-18(7-5-17)22-8-11-30(3)29-22/h4-8,10-11,13,15,20H,9,12,14,16H2,1-3H3,(H,27,31)
InChIKeyJOLBRPCPFRLZGS-UHFFFAOYSA-N
MW460.60 g/mol
LogP4.97
Rot. Bonds5

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

N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (PubChem CID 150713794) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
PubChem CID150713794
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC NameN-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
SMILESCn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4sccc34)cc2)n1
InChIInChI=1S/C26H28N4O2S/c1-26(2)16-20(9-12-32-26)27-24(31)23-15-19(21-10-13-33-25(21)28-23)14-17-4-6-18(7-5-17)22-8-11-30(3)29-22/h4-8,10-11,13,15,20H,9,12,14,16H2,1-3H3,(H,27,31)
InChIKeyJOLBRPCPFRLZGS-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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Related Compounds

N-(2,6-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150105810
N-[(1S,2S)-2-hydroxycyclohexyl]-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 150560056
5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-N-(oxolan-3-yl)pyridine-2-carboxamide
CID 129017443
N-(2-hydroxycyclopentyl)-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 146624273
1-methyl-N-[(3R)-oxolan-3-yl]-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 151334705
1-methyl-N-(2-oxaspiro[3.3]heptan-6-yl)-4-[[4-(1,3-thiazol-4-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150375428
N-[(2R,6S)-2,6-dimethyloxan-4-yl]-1-methyl-4-[[4-(1,3-thiazol-2-yl)phenyl]methyl]pyrrolo[2,3-b]pyridine-6-carboxamide
CID 150289153
1-[5-chloro-6-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]-2-pyridinyl]ethanone
CID 129045209
N-(2-methoxyethyl)-4-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]thieno[2,3-b]pyridine-6-carboxamide
CID 152524681
7-[[4-(1-methyltriazol-4-yl)phenyl]methyl]-N-(oxan-4-yl)furo[3,2-b]pyridine-5-carboxamide
CID 146549989
N-[(3R,4S)-3-hydroxyoxan-4-yl]-6-(1-methylpyrazol-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
CID 147196532
N-(2,2-dimethyloxan-4-yl)-5-(methylamino)pyridine-2-carboxamide
CID 104641994

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The IUPAC name of N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide (CID 150713794) is N-(2,2-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-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The canonical SMILES for N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is Cn1ccc(-c2ccc(Cc3cc(C(=O)NC4CCOC(C)(C)C4)nc4sccc34)cc2)n1.
What is the InChIKey of N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
The InChIKey is JOLBRPCPFRLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-26(2)16-20(9-12-32-26)27-24(31)23-15-19(21-10-13-33-25(21)28-23)14-17-4-6-18(7-5-17)22-8-11-30(3)29-22/h4-8,10-11,13,15,20H,9,12,14,16H2,1-3H3,(H,27,31).
What are the key properties of N-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide?
N-(2,2-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-(2,2-dimethyloxan-4-yl)-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]thieno[2,3-b]pyridine-6-carboxamide is sourced from PubChem (CID 150713794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).