2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

C38H26ClN15O3 — CID 159544675

IUPAC2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1ccnc(-c2cnc3ccc(C#N)cn23)n1.COc1ccnc(Cl)n1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2nccn2c1
InChIInChI=1S/C13H9N5O.C12H7N5O.C8H5N3.C5H5ClN2O/c1-19-12-4-5-15-13(17-12)10-7-16-11-3-2-9(6-14)8-18(10)11;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;9-5-7-1-2-8-10-3-4-11(8)6-7;1-9-4-2-3-7-5(6)8-4/h2-5,7-8H,1H3;1-4,6-7H,(H,14,16,18);1-4,6H;2-3H,1H3
InChIKeyMEQOFYPDZJSLNK-UHFFFAOYSA-N
MW776.18 g/mol
LogP4.97
Rot. Bonds4

About 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile

2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (PubChem CID 159544675) has the molecular formula C38H26ClN15O3 and a molecular weight of 776.18 g/mol. Its IUPAC name is 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.

Molecular Properties

Compound Name2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
PubChem CID159544675
Molecular FormulaC38H26ClN15O3
Molecular Weight776.18 g/mol
Exact Mass775.20
IUPAC Name2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
SMILESCOc1ccnc(-c2cnc3ccc(C#N)cn23)n1.COc1ccnc(Cl)n1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2nccn2c1
InChIInChI=1S/C13H9N5O.C12H7N5O.C8H5N3.C5H5ClN2O/c1-19-12-4-5-15-13(17-12)10-7-16-11-3-2-9(6-14)8-18(10)11;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;9-5-7-1-2-8-10-3-4-11(8)6-7;1-9-4-2-3-7-5(6)8-4/h2-5,7-8H,1H3;1-4,6-7H,(H,14,16,18);1-4,6H;2-3H,1H3
InChIKeyMEQOFYPDZJSLNK-UHFFFAOYSA-N
XLogP4.97
TPSA239.04 Ų
H-Bond Donors1
H-Bond Acceptors17
Rotatable Bonds4
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500776.18
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1017

Analyze 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile with MolForge

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Related Compounds

3-[3-[[2-(6-Methylimidazo[1,2-a]pyridin-3-yl)-6-(2-morpholin-4-ylethoxy)pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 123528079
2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine;2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 157393674
tert-butyl 4-[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-1,4-diazepane-1-carboxylate;tert-butyl 1,4-diazepane-1-carboxylate;3-[4-(1,4-diazepan-1-yl)pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 157830431
2-chloro-4-methoxy-5-pyridin-3-ylpyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxy-5-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-5-pyridin-3-yl-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile
CID 158573075
2-chloro-4,6-dimethoxypyrimidine;3-(4-chloro-6-pyridin-3-ylpyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dichloropyrimidin-2-yl)imidazo[1,2-a]pyridine;3-(4,6-dimethoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;4-hydroxy-2-imidazo[1,2-a]pyridin-3-yl-1H-pyrimidin-6-one;imidazo[1,2-a]pyridine;pyridin-3-ylboronic acid
CID 158645446
2-chloro-4-methoxypyrimidine;6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;6-fluoro-3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 160399373
2-chloro-4-methoxy-5-methylpyrimidine;6-fluoroimidazo[1,2-a]pyridine;2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-5-methyl-1H-pyrimidin-6-one;6-fluoro-3-(4-methoxy-5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridine
CID 160775805
tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate;3-[4-[methyl-[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 161282632
tert-butyl (3S)-3-aminopiperidine-1-carboxylate;tert-butyl (3S)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3S)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 161463944
tert-butyl (3R)-3-aminopiperidine-1-carboxylate;tert-butyl (3R)-3-[[2-(6-cyanoimidazo[1,2-a]pyridin-3-yl)pyrimidin-4-yl]amino]piperidine-1-carboxylate;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-[4-[[(3R)-piperidin-3-yl]amino]pyrimidin-2-yl]imidazo[1,2-a]pyridine-6-carbonitrile
CID 161463945
2-chloro-5-fluoro-4-methoxypyrimidine;5-fluoro-2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-1H-pyrimidin-6-one;6-fluoro-3-(5-fluoro-4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine;6-fluoroimidazo[1,2-a]pyridine
CID 161847816
3-(6-chloropyrazin-2-yl)-7-methoxyimidazo[1,2-a]pyridine;(2R,3R)-N-[6-(7-methoxyimidazo[1,2-a]pyridin-3-yl)pyrazin-2-yl]-2-methyl-1-azabicyclo[2.2.2]octan-3-amine;(2R,3R)-2-methyl-1-azabicyclo[2.2.2]octan-3-amine
CID 162088384

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The IUPAC name of 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile (CID 159544675) is 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile.
What is the SMILES notation for 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The canonical SMILES for 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is COc1ccnc(-c2cnc3ccc(C#N)cn23)n1.COc1ccnc(Cl)n1.N#Cc1ccc2ncc(-c3nccc(=O)[nH]3)n2c1.N#Cc1ccc2nccn2c1.
What is the InChIKey of 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
The InChIKey is MEQOFYPDZJSLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O.C12H7N5O.C8H5N3.C5H5ClN2O/c1-19-12-4-5-15-13(17-12)10-7-16-11-3-2-9(6-14)8-18(10)11;13-5-8-1-2-10-15-6-9(17(10)7-8)12-14-4-3-11(18)16-12;9-5-7-1-2-8-10-3-4-11(8)6-7;1-9-4-2-3-7-5(6)8-4/h2-5,7-8H,1H3;1-4,6-7H,(H,14,16,18);1-4,6H;2-3H,1H3.
What are the key properties of 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile?
2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile has a molecular weight of 776.18 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxypyrimidine;imidazo[1,2-a]pyridine-6-carbonitrile;3-(4-methoxypyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile;3-(6-oxo-1H-pyrimidin-2-yl)imidazo[1,2-a]pyridine-6-carbonitrile is sourced from PubChem (CID 159544675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).