potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride

C20H18KN5O4 — CID 173490955

IUPACpotassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)O)cc3)cn3ncnc23)nc1OC.[H-].[K+]
InChIInChI=1S/C20H17N5O4.K.H/c1-28-16-7-8-17(24-19(16)29-2)23-15-9-14(10-25-18(15)21-11-22-25)12-3-5-13(6-4-12)20(26)27;;/h3-11H,1-2H3,(H,23,24)(H,26,27);;/q;+1;-1
InChIKeyKVUJBLMLOGEWBT-UHFFFAOYSA-N
MW431.49 g/mol
LogP0.37
Rot. Bonds6

About potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride

potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride (PubChem CID 173490955) has the molecular formula C20H18KN5O4 and a molecular weight of 431.49 g/mol. Its IUPAC name is potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride.

Molecular Properties

Compound Namepotassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride
PubChem CID173490955
Molecular FormulaC20H18KN5O4
Molecular Weight431.49 g/mol
Exact Mass431.10
IUPAC Namepotassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride
SMILESCOc1ccc(Nc2cc(-c3ccc(C(=O)O)cc3)cn3ncnc23)nc1OC.[H-].[K+]
InChIInChI=1S/C20H17N5O4.K.H/c1-28-16-7-8-17(24-19(16)29-2)23-15-9-14(10-25-18(15)21-11-22-25)12-3-5-13(6-4-12)20(26)27;;/h3-11H,1-2H3,(H,23,24)(H,26,27);;/q;+1;-1
InChIKeyKVUJBLMLOGEWBT-UHFFFAOYSA-N
XLogP0.37
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.49
LogP ≤ 50.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride 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

4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-3-yl]carbamoyl]benzoic acid
CID 71074272
4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidine-3-carbonyl]amino]benzoic acid;hydrochloride
CID 71074074
N-(4-amino-3-methanimidoylphenyl)-3-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzamide
CID 123671374
tert-butyl 4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-3-yl]carbamoyl]benzoate
CID 71074252
4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamoyl]benzoic acid
CID 71526533
2-methoxy-4-[[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoyl]amino]benzoic acid;hydrochloride
CID 71074053
tert-butyl 3-[8-[(6-methoxypyridazin-3-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,5-dihydropyrrole-1-carboxylate
CID 118456695
methyl 4-[[1-[8-[(5,6-dimethoxy-2-pyridinyl)amino]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]carbamoyl]benzoate
CID 86682750
4-[[1-[8-[(5,6-dimethoxy-1-methylpyridin-1-ium-2-yl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-3-yl]carbamoyl]benzoic acid
CID 123261388
2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
CID 89251779
2-chloro-6-(2,5-dimethoxyanilino)pyridine-4-carboxylic acid
CID 43166932
4-[[4-(2-methoxyanilino)pyrimidin-2-yl]amino]benzoic acid
CID 70702136

Frequently Asked Questions

What is the IUPAC name of potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride?
The IUPAC name of potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride (CID 173490955) is potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride.
What is the SMILES notation for potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride?
The canonical SMILES for potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride is COc1ccc(Nc2cc(-c3ccc(C(=O)O)cc3)cn3ncnc23)nc1OC.[H-].[K+].
What is the InChIKey of potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride?
The InChIKey is KVUJBLMLOGEWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4.K.H/c1-28-16-7-8-17(24-19(16)29-2)23-15-9-14(10-25-18(15)21-11-22-25)12-3-5-13(6-4-12)20(26)27;;/h3-11H,1-2H3,(H,23,24)(H,26,27);;/q;+1;-1.
What are the key properties of potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride?
potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride has a molecular weight of 431.49 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;4-[8-[(5,6-dimethoxy-2-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]benzoic acid;hydride is sourced from PubChem (CID 173490955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).