N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

C44H39N7O6S2 — CID 90013366

IUPACN-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c(C)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1
InChIInChI=1S/C23H21N3O3S.C21H18N4O3S/c1-15-3-8-22(16(2)11-15)30(28,29)19-6-4-17(5-7-19)13-25-23(27)21-12-18-14-24-10-9-20(18)26-21;1-15-10-19(13-22-11-15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-8-9-25(20)14-17/h3-12,14,26H,13H2,1-2H3,(H,25,27);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyLQLXZEFITDWCFN-UHFFFAOYSA-N
MW825.97 g/mol
LogP6.74
Rot. Bonds10

About N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide

N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 90013366) has the molecular formula C44H39N7O6S2 and a molecular weight of 825.97 g/mol. Its IUPAC name is N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID90013366
Molecular FormulaC44H39N7O6S2
Molecular Weight825.97 g/mol
Exact Mass825.24
IUPAC NameN-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide
SMILESCc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c(C)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1
InChIInChI=1S/C23H21N3O3S.C21H18N4O3S/c1-15-3-8-22(16(2)11-15)30(28,29)19-6-4-17(5-7-19)13-25-23(27)21-12-18-14-24-10-9-20(18)26-21;1-15-10-19(13-22-11-15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-8-9-25(20)14-17/h3-12,14,26H,13H2,1-2H3,(H,25,27);2-11,13-14H,12H2,1H3,(H,24,26)
InChIKeyLQLXZEFITDWCFN-UHFFFAOYSA-N
XLogP6.74
TPSA185.35 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500825.97
LogP ≤ 56.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide (CID 90013366) is N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is Cc1ccc(S(=O)(=O)c2ccc(CNC(=O)c3cc4cnccc4[nH]3)cc2)c(C)c1.Cc1cncc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.
What is the InChIKey of N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is LQLXZEFITDWCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S.C21H18N4O3S/c1-15-3-8-22(16(2)11-15)30(28,29)19-6-4-17(5-7-19)13-25-23(27)21-12-18-14-24-10-9-20(18)26-21;1-15-10-19(13-22-11-15)29(27,28)18-5-2-16(3-6-18)12-24-21(26)17-4-7-20-23-8-9-25(20)14-17/h3-12,14,26H,13H2,1-2H3,(H,25,27);2-11,13-14H,12H2,1H3,(H,24,26).
What are the key properties of N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide?
N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 825.97 g/mol, XLogP of 6.74, 10 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2,4-dimethylphenyl)sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;N-[[4-[(5-methyl-3-pyridinyl)sulfonyl]phenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 90013366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).