N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

C40H36N8O3S2 — CID 158200410

IUPACN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.Cc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1
InChIInChI=1S/C20H18N4O2S.C20H18N4OS/c1-24(12-13-4-3-5-16(8-13)26-2)20(25)18-9-14-6-7-17(23-19(14)27-18)15-10-21-22-11-15;1-12-4-3-5-14(8-12)13(2)23-19(25)18-9-15-6-7-17(24-20(15)26-18)16-10-21-22-11-16/h3-11H,12H2,1-2H3,(H,21,22);3-11,13H,1-2H3,(H,21,22)(H,23,25)/t;13-/m.1/s1
InChIKeyGAWAENZTQFBBNJ-UICPXCLUSA-N
MW740.92 g/mol
LogP8.45
Rot. Bonds9

About N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide

N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 158200410) has the molecular formula C40H36N8O3S2 and a molecular weight of 740.92 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID158200410
Molecular FormulaC40H36N8O3S2
Molecular Weight740.92 g/mol
Exact Mass740.24
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCOc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.Cc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1
InChIInChI=1S/C20H18N4O2S.C20H18N4OS/c1-24(12-13-4-3-5-16(8-13)26-2)20(25)18-9-14-6-7-17(23-19(14)27-18)15-10-21-22-11-15;1-12-4-3-5-14(8-12)13(2)23-19(25)18-9-15-6-7-17(24-20(15)26-18)16-10-21-22-11-16/h3-11H,12H2,1-2H3,(H,21,22);3-11,13H,1-2H3,(H,21,22)(H,23,25)/t;13-/m.1/s1
InChIKeyGAWAENZTQFBBNJ-UICPXCLUSA-N
XLogP8.45
TPSA141.78 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.92
LogP ≤ 58.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide with MolForge

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Related Compounds

N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 124085686
N-(1,3-benzothiazol-2-ylmethyl)-3-methoxy-4-(1H-pyrazol-4-yl)benzamide
CID 90354569
5-[7-(2,4-difluoro-6-propan-2-yloxyphenyl)-6-[5-[(3S)-1-prop-2-enoylpyrrolidin-3-yl]-1H-pyrazol-4-yl]thieno[3,2-c]pyridin-4-yl]-2,3-dihydroisoindol-1-one
CID 169759490
6-(difluoromethyl)-4-(1,3-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509852
6-(difluoromethyl)-4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509867
4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509895
6-(difluoromethyl)-4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509897
6-(difluoromethyl)-4-(1-ethyl-3-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]thieno[2,3-b]pyridine-2-carboxamide
CID 19509902
4-(1,5-dimethylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509903
4-(1-ethyl-5-methylpyrazol-4-yl)-3-[[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-6-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 19509904
3-(3-methoxyphenyl)-1-methyl-N-(pyridin-3-ylmethyl)-1H-thieno[2,3-c]pyrazole-5-carboxamide
CID 16001342
N-[2-(4-methoxyphenyl)cyclopropyl]-4,6-dimethyl-3-(1-methylpyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 117916984

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide (CID 158200410) is N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is COc1cccc(CN(C)C(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.Cc1cccc([C@@H](C)NC(=O)c2cc3ccc(-c4cn[nH]c4)nc3s2)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is GAWAENZTQFBBNJ-UICPXCLUSA-N. The full InChI is InChI=1S/C20H18N4O2S.C20H18N4OS/c1-24(12-13-4-3-5-16(8-13)26-2)20(25)18-9-14-6-7-17(23-19(14)27-18)15-10-21-22-11-15;1-12-4-3-5-14(8-12)13(2)23-19(25)18-9-15-6-7-17(24-20(15)26-18)16-10-21-22-11-16/h3-11H,12H2,1-2H3,(H,21,22);3-11,13H,1-2H3,(H,21,22)(H,23,25)/t;13-/m.1/s1.
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 740.92 g/mol, XLogP of 8.45, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-methyl-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide;N-[(1R)-1-(3-methylphenyl)ethyl]-6-(1H-pyrazol-4-yl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 158200410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).