2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid

C28H17N4O5S- — CID 163968808

IUPAC2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(c4sc5ccccc5c4-c4ncco4)C=C[N-]3)n2)c1
InChIInChI=1S/C28H17N4O5S/c33-27(34)16-6-8-30-20(12-16)22-14-17(28(35)36)13-21(32-22)19-11-15(5-7-29-19)25-24(26-31-9-10-37-26)18-3-1-2-4-23(18)38-25/h1-14,19H,(H,33,34)(H,35,36)/q-1
InChIKeySOEGVVHPUSMZBB-UHFFFAOYSA-N
MW521.53 g/mol
LogP6.44
Rot. Bonds6

About 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid

2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid (PubChem CID 163968808) has the molecular formula C28H17N4O5S- and a molecular weight of 521.53 g/mol. Its IUPAC name is 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid
PubChem CID163968808
Molecular FormulaC28H17N4O5S-
Molecular Weight521.53 g/mol
Exact Mass521.09
IUPAC Name2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(c4sc5ccccc5c4-c4ncco4)C=C[N-]3)n2)c1
InChIInChI=1S/C28H17N4O5S/c33-27(34)16-6-8-30-20(12-16)22-14-17(28(35)36)13-21(32-22)19-11-15(5-7-29-19)25-24(26-31-9-10-37-26)18-3-1-2-4-23(18)38-25/h1-14,19H,(H,33,34)(H,35,36)/q-1
InChIKeySOEGVVHPUSMZBB-UHFFFAOYSA-N
XLogP6.44
TPSA140.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.53
LogP ≤ 56.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[3-Cyano-4-(5-ethoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
CID 57490695
4-Cyano-5-[[3-cyano-4-(5-ethoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
CID 57490793
2-[7-[2-(3-Methoxy-2-pyridinyl)ethyl]-3-methyl-2-(1,3-oxazol-2-yl)-4-oxothieno[3,2-c]pyridin-5-yl]-2-methylpropanoic acid
CID 123182565
2-(4-carboxy-2-pyridinyl)-6-[4-[(E)-2-(1,3-oxazol-2-yl)ethenyl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 126729558
3-(1,3-Oxazol-2-yl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 139653272
3-[5-[3-Methyl-5-(1,3-oxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxamide
CID 140140205
5-[[3-Cyano-4-(5-methoxy-1,3-oxazol-2-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]thiophene-2-carboxylic acid
CID 140546127
2-[5-Phenyl-4-pyridin-2-yl-3-(1,3-thiazol-2-yl)thiophen-2-yl]-1,3-oxazole
CID 140987684
2-(4-Carboxy-2-pyridinyl)-6-[4-[5-(5-sulfanylthiophen-2-yl)-1,3-oxazol-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055109
2-(4-Carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055169
2-(4-Carboxy-2-pyridinyl)-6-[4-[5-(5-propoxy-1,3-benzoxazol-2-yl)thiophen-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 145055180
2-[4-[3-(1-Benzothiophen-2-yl)isoquinolin-7-yl]phenyl]-1,3-oxazole
CID 146648653

Frequently Asked Questions

What is the IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid (CID 163968808) is 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(-c2cc(C(=O)O)cc(C3C=C(c4sc5ccccc5c4-c4ncco4)C=C[N-]3)n2)c1.
What is the InChIKey of 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid?
The InChIKey is SOEGVVHPUSMZBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N4O5S/c33-27(34)16-6-8-30-20(12-16)22-14-17(28(35)36)13-21(32-22)19-11-15(5-7-29-19)25-24(26-31-9-10-37-26)18-3-1-2-4-23(18)38-25/h1-14,19H,(H,33,34)(H,35,36)/q-1.
What are the key properties of 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid?
2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid has a molecular weight of 521.53 g/mol, XLogP of 6.44, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-carboxy-2-pyridinyl)-6-[4-[3-(1,3-oxazol-2-yl)-1-benzothiophen-2-yl]-2H-pyridin-1-id-2-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 163968808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).