nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid

C22H19N3O8 — CID 174691844

IUPACnitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2cc3nccc(-c4cncc(C(=O)O)c4)c3o2)cc(OC)c1OC.O=NO
InChIInChI=1S/C22H18N2O6.HNO2/c1-27-18-7-12(8-19(28-2)21(18)29-3)17-9-16-20(30-17)15(4-5-24-16)13-6-14(22(25)26)11-23-10-13;2-1-3/h4-11H,1-3H3,(H,25,26);(H,2,3)
InChIKeyDYCPKNHNGPJWBN-UHFFFAOYSA-N
MW453.41 g/mol
LogP4.42
Rot. Bonds6

About nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid

nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid (PubChem CID 174691844) has the molecular formula C22H19N3O8 and a molecular weight of 453.41 g/mol. Its IUPAC name is nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Namenitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid
PubChem CID174691844
Molecular FormulaC22H19N3O8
Molecular Weight453.41 g/mol
Exact Mass453.12
IUPAC Namenitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2cc3nccc(-c4cncc(C(=O)O)c4)c3o2)cc(OC)c1OC.O=NO
InChIInChI=1S/C22H18N2O6.HNO2/c1-27-18-7-12(8-19(28-2)21(18)29-3)17-9-16-20(30-17)15(4-5-24-16)13-6-14(22(25)26)11-23-10-13;2-1-3/h4-11H,1-3H3,(H,25,26);(H,2,3)
InChIKeyDYCPKNHNGPJWBN-UHFFFAOYSA-N
XLogP4.42
TPSA153.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.41
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-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

methyl 4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 56848500
N-phenyl-4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 66779357
methyl 4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoate
CID 66779542
7-(2-methoxy-4-pyridinyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779809
7-(3-methylphenyl)-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 118011717
[4-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]methanamine
CID 66778947
(4R)-4,5-dihydroxy-1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]phenyl]pentan-1-one
CID 157326078
5-(2,3,4-trimethoxyphenyl)pyridine-3-carboxylic acid
CID 39233473
7-quinolin-6-yl-2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridine
CID 66779212
tert-butyl N-[1-[3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzoyl]pyrrolidin-3-yl]carbamate
CID 66779886
methyl 3-methyl-5-(7-phenylfuro[3,2-b]pyridin-2-yl)benzoate
CID 66779782
N-(2-aminocyclohexyl)-4-methoxy-3-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]benzamide
CID 56849171

Frequently Asked Questions

What is the IUPAC name of nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid?
The IUPAC name of nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid (CID 174691844) is nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid?
The canonical SMILES for nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid is COc1cc(-c2cc3nccc(-c4cncc(C(=O)O)c4)c3o2)cc(OC)c1OC.O=NO.
What is the InChIKey of nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid?
The InChIKey is DYCPKNHNGPJWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O6.HNO2/c1-27-18-7-12(8-19(28-2)21(18)29-3)17-9-16-20(30-17)15(4-5-24-16)13-6-14(22(25)26)11-23-10-13;2-1-3/h4-11H,1-3H3,(H,25,26);(H,2,3).
What are the key properties of nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid?
nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid has a molecular weight of 453.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for nitrous acid;5-[2-(3,4,5-trimethoxyphenyl)furo[3,2-b]pyridin-7-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 174691844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).