4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide

C23H20N6O2S2 — CID 135413724

IUPAC4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(-c4cccs4)n[nH]3)c(-n3cccc3)c12
InChIInChI=1S/C23H20N6O2S2/c1-14-10-15(13-31-2)19-20(29-7-3-4-8-29)21(33-23(19)25-14)22(30)28-24-12-16-11-17(27-26-16)18-6-5-9-32-18/h3-12H,13H2,1-2H3,(H,26,27)(H,28,30)/b24-12+
InChIKeyFLOTVBODAOTHBG-WYMPLXKRSA-N
MW476.59 g/mol
LogP4.76
Rot. Bonds7

About 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide

4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 135413724) has the molecular formula C23H20N6O2S2 and a molecular weight of 476.59 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
PubChem CID135413724
Molecular FormulaC23H20N6O2S2
Molecular Weight476.59 g/mol
Exact Mass476.11
IUPAC Name4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide
SMILESCOCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(-c4cccs4)n[nH]3)c(-n3cccc3)c12
InChIInChI=1S/C23H20N6O2S2/c1-14-10-15(13-31-2)19-20(29-7-3-4-8-29)21(33-23(19)25-14)22(30)28-24-12-16-11-17(27-26-16)18-6-5-9-32-18/h3-12H,13H2,1-2H3,(H,26,27)(H,28,30)/b24-12+
InChIKeyFLOTVBODAOTHBG-WYMPLXKRSA-N
XLogP4.76
TPSA97.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.59
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(3-chloro-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 136792840
N-butyl-4-(methoxymethyl)-6-methyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 3236725
N-[(E)-(4-methoxyphenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 10644926
N-[(3,4-dichlorophenyl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132016
N-[(E)-(5-methoxy-1H-indol-3-yl)methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 135655995
N-[[6-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-4,7-dimethoxy-1,3-benzodioxol-5-yl]methylideneamino]-4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carboxamide
CID 171132000
N-[4-[[(4,6-dimethyl-3-pyrrol-1-ylthieno[2,3-b]pyridine-2-carbonyl)amino]sulfamoyl]phenyl]acetamide
CID 3792847
methyl 2-(4-methyl-6-thiophen-2-ylpyrimidin-2-yl)acetate
CID 116895161
3-(4-methoxyphenyl)-N-[(Z)-thiophen-2-ylmethylideneamino]-1H-pyrazole-5-carboxamide
CID 5412743
(4S)-13-(methoxymethyl)-11-methyl-4-thiophen-2-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one
CID 706530
3-amino-N-(4-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 5302650
3-amino-N-(2-ethylphenyl)-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridine-2-carboxamide
CID 1209422

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide (CID 135413724) is 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is COCc1cc(C)nc2sc(C(=O)N/N=C/c3cc(-c4cccs4)n[nH]3)c(-n3cccc3)c12.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FLOTVBODAOTHBG-WYMPLXKRSA-N. The full InChI is InChI=1S/C23H20N6O2S2/c1-14-10-15(13-31-2)19-20(29-7-3-4-8-29)21(33-23(19)25-14)22(30)28-24-12-16-11-17(27-26-16)18-6-5-9-32-18/h3-12H,13H2,1-2H3,(H,26,27)(H,28,30)/b24-12+.
What are the key properties of 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide?
4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 476.59 g/mol, XLogP of 4.76, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-3-pyrrol-1-yl-N-[(E)-(3-thiophen-2-yl-1H-pyrazol-5-yl)methylideneamino]thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 135413724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).