benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate

C40H30Br2N6O5 — CID 158214813

IUPACbenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate
SMILESO=C(NCc1ccc(Br)cn1)c1cccc(C(=O)OCc2ccccc2)n1.O=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C20H16BrN3O3.C20H14BrN3O2/c21-15-9-10-16(22-11-15)12-23-19(25)17-7-4-8-18(24-17)20(26)27-13-14-5-2-1-3-6-14;21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,23,25);1-12H,13H2
InChIKeyGCNBYLXFKDCZQD-UHFFFAOYSA-N
MW834.52 g/mol
LogP8.04
Rot. Bonds10

About benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate

benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate (PubChem CID 158214813) has the molecular formula C40H30Br2N6O5 and a molecular weight of 834.52 g/mol. Its IUPAC name is benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namebenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate
PubChem CID158214813
Molecular FormulaC40H30Br2N6O5
Molecular Weight834.52 g/mol
Exact Mass832.06
IUPAC Namebenzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate
SMILESO=C(NCc1ccc(Br)cn1)c1cccc(C(=O)OCc2ccccc2)n1.O=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1
InChIInChI=1S/C20H16BrN3O3.C20H14BrN3O2/c21-15-9-10-16(22-11-15)12-23-19(25)17-7-4-8-18(24-17)20(26)27-13-14-5-2-1-3-6-14;21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,23,25);1-12H,13H2
InChIKeyGCNBYLXFKDCZQD-UHFFFAOYSA-N
XLogP8.04
TPSA137.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500834.52
LogP ≤ 58.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate 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 3-(5-fluoro-3-pyridinyl)-2-[2-(phenylmethoxycarbonylamino)ethyl]imidazo[1,2-a]pyridine-5-carboxylate
CID 67446850
Methyl 4-[[[6-bromo-2-[(4-fluoro-3-methylphenyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoate
CID 69084922
6-((4-(2-(2-aminopyridin-3-yl)-5-phenyl-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)carbamoyl)picolinic acid
CID 176267945
Ethyl 3-(4-bromophenyl)imidazo[1,5-a]pyridine-1-carboxylate
CID 154719905
(S)-methyl 2-(1-(((benzyloxy)carbonyl)amino)ethyl)-3-(pyridin-3-yl)imidazo[1,2-a]pyridine-5-carboxylate
CID 58459382
methyl 5-[4-[(2R)-4-[(3R)-3-[1-(3-methoxypropyl)benzimidazol-2-yl]piperidin-1-yl]-2-methyl-4-oxobutyl]phenyl]pyridine-2-carboxylate
CID 66791871
Methyl 2-[1-(phenylmethoxycarbonylamino)ethyl]-3-pyridin-3-ylimidazo[1,2-a]pyridine-5-carboxylate
CID 67433028
4-[[[2-[(2-Morpholin-4-yl-4-pyridinyl)methylcarbamoyl]imidazo[1,2-a]pyridine-5-carbonyl]amino]methyl]benzoic acid
CID 70244851
Tert-butyl 6-[(6-bromoimidazo[1,2-a]pyridin-8-yl)amino]-3-piperidin-4-ylpyridine-2-carboxylate
CID 89615918
Benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate
CID 118663999
Butyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate
CID 118670576
N-[4-[(3R)-3-aminopiperidin-1-yl]-5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl]-6-(methoxymethyl)pyridine-2-carboxamide;hydrochloride
CID 141253997

Frequently Asked Questions

What is the IUPAC name of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate?
The IUPAC name of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate (CID 158214813) is benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate.
What is the SMILES notation for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate?
The canonical SMILES for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate is O=C(NCc1ccc(Br)cn1)c1cccc(C(=O)OCc2ccccc2)n1.O=C(OCc1ccccc1)c1cccc(-c2ncc3ccc(Br)cn23)n1.
What is the InChIKey of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate?
The InChIKey is GCNBYLXFKDCZQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN3O3.C20H14BrN3O2/c21-15-9-10-16(22-11-15)12-23-19(25)17-7-4-8-18(24-17)20(26)27-13-14-5-2-1-3-6-14;21-15-9-10-16-11-22-19(24(16)12-15)17-7-4-8-18(23-17)20(25)26-13-14-5-2-1-3-6-14/h1-11H,12-13H2,(H,23,25);1-12H,13H2.
What are the key properties of benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate?
benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate has a molecular weight of 834.52 g/mol, XLogP of 8.04, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 6-(6-bromoimidazo[1,5-a]pyridin-3-yl)pyridine-2-carboxylate;benzyl 6-[(5-bromo-2-pyridinyl)methylcarbamoyl]pyridine-2-carboxylate is sourced from PubChem (CID 158214813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).