N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide

C50H42ClFN8O8S2 — CID 90017673

IUPACN-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide
SMILESCc1cc(Cl)cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.NC(=O)c1ccccn1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H18ClN3O3S.C22H18FN3O4S.C6H6N2O/c1-15-10-18(23)12-20(11-15)30(28,29)19-5-2-16(3-6-19)13-25-22(27)17-4-7-21-24-8-9-26(21)14-17;23-17-4-3-15(13-27)21(10-17)31(29,30)18-5-1-14(2-6-18)11-25-22(28)20-9-16-12-24-8-7-19(16)26-20;7-6(9)5-3-1-2-4-8-5/h2-12,14H,13H2,1H3,(H,25,27);1-10,12,26-27H,11,13H2,(H,25,28);1-4H,(H2,7,9)
InChIKeyIODWGQYXJRKQTN-UHFFFAOYSA-N
MW1001.52 g/mol
LogP7.20
Rot. Bonds12

About N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide

N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide (PubChem CID 90017673) has the molecular formula C50H42ClFN8O8S2 and a molecular weight of 1001.52 g/mol. Its IUPAC name is N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide
PubChem CID90017673
Molecular FormulaC50H42ClFN8O8S2
Molecular Weight1001.52 g/mol
Exact Mass1000.22
IUPAC NameN-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide
SMILESCc1cc(Cl)cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.NC(=O)c1ccccn1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1cc2cnccc2[nH]1
InChIInChI=1S/C22H18ClN3O3S.C22H18FN3O4S.C6H6N2O/c1-15-10-18(23)12-20(11-15)30(28,29)19-5-2-16(3-6-19)13-25-22(27)17-4-7-21-24-8-9-26(21)14-17;23-17-4-3-15(13-27)21(10-17)31(29,30)18-5-1-14(2-6-18)11-25-22(28)20-9-16-12-24-8-7-19(16)26-20;7-6(9)5-3-1-2-4-8-5/h2-12,14H,13H2,1H3,(H,25,27);1-10,12,26-27H,11,13H2,(H,25,28);1-4H,(H2,7,9)
InChIKeyIODWGQYXJRKQTN-UHFFFAOYSA-N
XLogP7.20
TPSA248.67 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001001.52
LogP ≤ 57.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide (CID 90017673) is N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide is Cc1cc(Cl)cc(S(=O)(=O)c2ccc(CNC(=O)c3ccc4nccn4c3)cc2)c1.NC(=O)c1ccccn1.O=C(NCc1ccc(S(=O)(=O)c2cc(F)ccc2CO)cc1)c1cc2cnccc2[nH]1.
What is the InChIKey of N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide?
The InChIKey is IODWGQYXJRKQTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O3S.C22H18FN3O4S.C6H6N2O/c1-15-10-18(23)12-20(11-15)30(28,29)19-5-2-16(3-6-19)13-25-22(27)17-4-7-21-24-8-9-26(21)14-17;23-17-4-3-15(13-27)21(10-17)31(29,30)18-5-1-14(2-6-18)11-25-22(28)20-9-16-12-24-8-7-19(16)26-20;7-6(9)5-3-1-2-4-8-5/h2-12,14H,13H2,1H3,(H,25,27);1-10,12,26-27H,11,13H2,(H,25,28);1-4H,(H2,7,9).
What are the key properties of N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide?
N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide has a molecular weight of 1001.52 g/mol, XLogP of 7.20, 12 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-chloro-5-methylphenyl)sulfonylphenyl]methyl]imidazo[1,2-a]pyridine-6-carboxamide;N-[[4-[5-fluoro-2-(hydroxymethyl)phenyl]sulfonylphenyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide;pyridine-2-carboxamide is sourced from PubChem (CID 90017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).