N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

C44H42N8O7S3 — CID 90012733

IUPACN-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c(C)c1.Cc1nc(C)c(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)s1
InChIInChI=1S/C24H24N4O4S.C20H18N4O3S2/c1-3-10-32-20-6-9-22(16(2)11-20)33(30,31)21-7-4-17(5-8-21)13-26-24(29)19-12-18-15-27-28-23(18)25-14-19;1-13-20(28-14(2)23-13)29(26,27)17-6-3-15(4-7-17)11-22-19(25)16-5-8-18-21-9-10-24(18)12-16/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,29)(H,25,27,28);3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyQXTHPMVSIDKRGF-UHFFFAOYSA-N
MW891.07 g/mol
LogP6.99
Rot. Bonds13

About N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide

N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 90012733) has the molecular formula C44H42N8O7S3 and a molecular weight of 891.07 g/mol. Its IUPAC name is N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID90012733
Molecular FormulaC44H42N8O7S3
Molecular Weight891.07 g/mol
Exact Mass890.23
IUPAC NameN-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c(C)c1.Cc1nc(C)c(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)s1
InChIInChI=1S/C24H24N4O4S.C20H18N4O3S2/c1-3-10-32-20-6-9-22(16(2)11-20)33(30,31)21-7-4-17(5-8-21)13-26-24(29)19-12-18-15-27-28-23(18)25-14-19;1-13-20(28-14(2)23-13)29(26,27)17-6-3-15(4-7-17)11-22-19(25)16-5-8-18-21-9-10-24(18)12-16/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,29)(H,25,27,28);3-10,12H,11H2,1-2H3,(H,22,25)
InChIKeyQXTHPMVSIDKRGF-UHFFFAOYSA-N
XLogP6.99
TPSA207.47 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds13
Heavy Atoms62
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500891.07
LogP ≤ 56.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Related Compounds

N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide;N-[[4-(3-phenylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012416
N-[[4-[(5-chloro-3-methyl-2-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[[2-(3-fluorophenyl)-1,3-thiazol-4-yl]sulfonyl]phenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 157185290
N-[[4-[(4-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 66613588
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]propan-1-one
CID 157328443
N-[[4-(4-butylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613556
N-[[4-(3-chloro-2-methylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613511
N-[[4-(5-acetyl-2-methoxyphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 87074884
N-[[4-(2-chlorophenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
CID 90012691
N-[[4-(2-ethyl-5-fluorophenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 138593064
N-[[4-(2-fluoro-4-pyrazol-1-ylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 66613502
N-[[4-[4-(pyrrolidine-1-carbonyl)phenyl]sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 70984780
N-[[4-(3-ethylphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 90012417

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide (CID 90012733) is N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is CCCOc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cnc4[nH]ncc4c3)cc2)c(C)c1.Cc1nc(C)c(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)s1.
What is the InChIKey of N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is QXTHPMVSIDKRGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S.C20H18N4O3S2/c1-3-10-32-20-6-9-22(16(2)11-20)33(30,31)21-7-4-17(5-8-21)13-26-24(29)19-12-18-15-27-28-23(18)25-14-19;1-13-20(28-14(2)23-13)29(26,27)17-6-3-15(4-7-17)11-22-19(25)16-5-8-18-21-9-10-24(18)12-16/h4-9,11-12,14-15H,3,10,13H2,1-2H3,(H,26,29)(H,25,27,28);3-10,12H,11H2,1-2H3,(H,22,25).
What are the key properties of N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide?
N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 891.07 g/mol, XLogP of 6.99, 13 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-(2-methyl-4-propoxyphenyl)sulfonylphenyl]methyl]-1H-pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90012733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).