2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid

C21H19N5O5S — CID 18549718

IUPAC2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2c(N(C)S(=O)(=O)c3ccc(Oc4ccncc4)cc3)c(C(=O)O)cnc2n1C
InChIInChI=1S/C21H19N5O5S/c1-13-24-18-19(17(21(27)28)12-23-20(18)25(13)2)26(3)32(29,30)16-6-4-14(5-7-16)31-15-8-10-22-11-9-15/h4-12H,1-3H3,(H,27,28)
InChIKeyMJDFJCLWRHWUGV-UHFFFAOYSA-N
MW453.48 g/mol
LogP2.99
Rot. Bonds6

About 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid

2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid (PubChem CID 18549718) has the molecular formula C21H19N5O5S and a molecular weight of 453.48 g/mol. Its IUPAC name is 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid
PubChem CID18549718
Molecular FormulaC21H19N5O5S
Molecular Weight453.48 g/mol
Exact Mass453.11
IUPAC Name2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid
SMILESCc1nc2c(N(C)S(=O)(=O)c3ccc(Oc4ccncc4)cc3)c(C(=O)O)cnc2n1C
InChIInChI=1S/C21H19N5O5S/c1-13-24-18-19(17(21(27)28)12-23-20(18)25(13)2)26(3)32(29,30)16-6-4-14(5-7-16)31-15-8-10-22-11-9-15/h4-12H,1-3H3,(H,27,28)
InChIKeyMJDFJCLWRHWUGV-UHFFFAOYSA-N
XLogP2.99
TPSA127.51 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid with MolForge

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Related Compounds

ethyl 1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylate
CID 18549747
N-hydroxy-1-methyl-4-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-3-phenylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10208692
4-[ethyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]-7-methyl-1,8-naphthyridine-3-carboxylic acid
CID 70193048
7-benzylsulfanyl-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylic acid
CID 10380861
3-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549774
N-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(pyridin-4-ylmethyl)amino]-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 10206168
5-[ethyl-(4-pyridin-4-yloxyphenyl)sulfamoyl]-2,3-dimethylbenzoic acid
CID 69236155
5-bromo-2-[(4-butoxyphenyl)sulfonyl-methylamino]-3-methylbenzoic acid
CID 23506748
4-[(4-methoxyphenyl)sulfonyl-(pyridin-3-ylmethyl)amino]-1-methyl-3-phenylpyrazolo[3,4-b]pyridine-5-carboxylic acid
CID 18549761
N-methyl-4-phenoxy-N-phenylbenzenesulfonamide
CID 802691
3-methyl-5-phenyl-2-[(4-pyridin-4-yloxyphenyl)sulfonylamino]benzoic acid
CID 23506766
ethyl 7-chloro-2,3-dimethylimidazo[4,5-b]pyridine-6-carboxylate
CID 10264278

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid?
The IUPAC name of 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid (CID 18549718) is 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid?
The canonical SMILES for 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid is Cc1nc2c(N(C)S(=O)(=O)c3ccc(Oc4ccncc4)cc3)c(C(=O)O)cnc2n1C.
What is the InChIKey of 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid?
The InChIKey is MJDFJCLWRHWUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O5S/c1-13-24-18-19(17(21(27)28)12-23-20(18)25(13)2)26(3)32(29,30)16-6-4-14(5-7-16)31-15-8-10-22-11-9-15/h4-12H,1-3H3,(H,27,28).
What are the key properties of 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid?
2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid has a molecular weight of 453.48 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-7-[methyl-(4-pyridin-4-yloxyphenyl)sulfonylamino]imidazo[4,5-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 18549718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).