2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid

C17H17N5O3 — CID 58386658

IUPAC2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1
InChIInChI=1S/C17H17N5O3/c23-16(24)11-3-7-18-14(10-11)21-8-4-12(5-9-21)22-13-2-1-6-19-15(13)20-17(22)25/h1-3,6-7,10,12H,4-5,8-9H2,(H,23,24)(H,19,20,25)
InChIKeyQTCYTTVHZXQIMG-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.66
Rot. Bonds3

About 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid

2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid (PubChem CID 58386658) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
PubChem CID58386658
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1
InChIInChI=1S/C17H17N5O3/c23-16(24)11-3-7-18-14(10-11)21-8-4-12(5-9-21)22-13-2-1-6-19-15(13)20-17(22)25/h1-3,6-7,10,12H,4-5,8-9H2,(H,23,24)(H,19,20,25)
InChIKeyQTCYTTVHZXQIMG-UHFFFAOYSA-N
XLogP1.66
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid with MolForge

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Related Compounds

1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386482
1-[1-[4-(7,7-dimethyl-4,6-dihydro-1H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-pyridinyl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 71097445
potassium 1-(1-oxidopiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 145302216
ethane;1-(1-methylpiperidin-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 143218186
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 118888622
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
CID 89009696
CID 89009696
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
1-[1-[6-(6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)pyrimidin-4-yl]piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 58386505
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid (CID 58386658) is 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(N2CCC(n3c(=O)[nH]c4ncccc43)CC2)c1.
What is the InChIKey of 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid?
The InChIKey is QTCYTTVHZXQIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-16(24)11-3-7-18-14(10-11)21-8-4-12(5-9-21)22-13-2-1-6-19-15(13)20-17(22)25/h1-3,6-7,10,12H,4-5,8-9H2,(H,23,24)(H,19,20,25).
What are the key properties of 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid?
2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid has a molecular weight of 339.36 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid is sourced from PubChem (CID 58386658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).