1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C15H15BrN6O — CID 58386482

IUPAC1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1
InChIInChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23)
InChIKeyDDNYUCYUXRCERE-UHFFFAOYSA-N
MW375.23 g/mol
LogP2.12
Rot. Bonds2

About 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 58386482) has the molecular formula C15H15BrN6O and a molecular weight of 375.23 g/mol. Its IUPAC name is 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

Compound Name1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
PubChem CID58386482
Molecular FormulaC15H15BrN6O
Molecular Weight375.23 g/mol
Exact Mass374.05
IUPAC Name1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
SMILESO=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1
InChIInChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23)
InChIKeyDDNYUCYUXRCERE-UHFFFAOYSA-N
XLogP2.12
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.23
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one 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

2-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]pyridine-4-carboxylic acid
CID 58386658
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
1-[1-(4-aminophenyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
CID 118888622
ethane;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbaldehyde
CID 142441053
potassium;hydride;4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxamide
CID 174628574
methylidyne-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carbonyl]azanium
CID 163491141
methyl 4-[4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 22745299
1-(azepan-4-yl)-3H-imidazo[4,5-b]pyridin-2-one
CID 170742162
1-(3-hydroxycyclobutyl)-3H-imidazo[4,5-b]pyridin-2-one
CID 175822352
ethyl 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate
CID 24885297
CID 89009696
CID 89009696

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The IUPAC name of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 58386482) is 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.
What is the SMILES notation for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The canonical SMILES for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is O=c1[nH]c2ncccc2n1C1CCN(c2ccnc(Br)n2)CC1.
What is the InChIKey of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
The InChIKey is DDNYUCYUXRCERE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN6O/c16-14-18-7-3-12(19-14)21-8-4-10(5-9-21)22-11-2-1-6-17-13(11)20-15(22)23/h1-3,6-7,10H,4-5,8-9H2,(H,17,20,23).
What are the key properties of 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?
1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 375.23 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bromopyrimidin-4-yl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 58386482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).