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

C35H29ClN12O3 — CID 157393674

IUPAC2-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
SMILESCOc1ccnc(-c2cnc3ccccn23)n1.COc1ccnc(Cl)n1.O=c1ccnc(-c2cnc3ccccn23)[nH]1.c1ccn2ccnc2c1
InChIInChI=1S/C12H10N4O.C11H8N4O.C7H6N2.C5H5ClN2O/c1-17-11-5-6-13-12(15-11)9-8-14-10-4-2-3-7-16(9)10;16-10-4-5-12-11(14-10)8-7-13-9-3-1-2-6-15(8)9;1-2-5-9-6-4-8-7(9)3-1;1-9-4-2-3-7-5(6)8-4/h2-8H,1H3;1-7H,(H,12,14,16);1-6H;2-3H,1H3
InChIKeyBMHVUVGQALYUKE-UHFFFAOYSA-N
MW701.15 g/mol
LogP5.36
Rot. Bonds4

About 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

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 (PubChem CID 157393674) has the molecular formula C35H29ClN12O3 and a molecular weight of 701.15 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID157393674
Molecular FormulaC35H29ClN12O3
Molecular Weight701.15 g/mol
Exact Mass700.22
IUPAC Name2-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
SMILESCOc1ccnc(-c2cnc3ccccn23)n1.COc1ccnc(Cl)n1.O=c1ccnc(-c2cnc3ccccn23)[nH]1.c1ccn2ccnc2c1
InChIInChI=1S/C12H10N4O.C11H8N4O.C7H6N2.C5H5ClN2O/c1-17-11-5-6-13-12(15-11)9-8-14-10-4-2-3-7-16(9)10;16-10-4-5-12-11(14-10)8-7-13-9-3-1-2-6-15(8)9;1-2-5-9-6-4-8-7(9)3-1;1-9-4-2-3-7-5(6)8-4/h2-8H,1H3;1-7H,(H,12,14,16);1-6H;2-3H,1H3
InChIKeyBMHVUVGQALYUKE-UHFFFAOYSA-N
XLogP5.36
TPSA167.67 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms51
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500701.15
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

N-[[7-(6-methoxypyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]pyridin-2-amine
CID 97415887
3-[(3R)-3-[[2-(6-fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67255764
3-[3-[[2-(6-Fluoroimidazo[1,2-a]pyridin-3-yl)-6-methoxypyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 67255765
2-N,2-N-dimethyl-5-N-[2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]pyridine-2,5-diamine;N-(6-methoxypyridin-3-yl)-2-[2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 158639972
4-[3-(4-acetamido-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 49835459
1-[4-[3-(4-Amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-6-yl]piperazin-1-yl]ethanone
CID 66788921
4-[3-(4-amino-6-methyl-1,3,5-triazin-2-yl)-2-[(6-methoxy-3-pyridinyl)amino]imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperazine-1-carboxamide
CID 66789984
3-[1-[8-(2,4-dimethoxypyrimidin-5-yl)-9-methylpurin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 66806569
3-[1-[8-(2,4-dimethoxypyrimidin-5-yl)-9-ethylpurin-6-yl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 66806685
2-N-(4-ethoxy-2-pyridinyl)-4-N-imidazo[1,2-a]pyridin-7-yl-6-pyrrolidin-1-ylpyrimidine-2,4-diamine
CID 139450031
6-(3,3-dimethylpyrrolidin-1-yl)-4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)pyrimidine-2,4-diamine
CID 139450041
4-N-imidazo[1,2-a]pyridin-7-yl-2-N-(4-methoxy-2-pyridinyl)-6-morpholin-4-ylpyrimidine-2,4-diamine
CID 139450047

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccnc(-c2cnc3ccccn23)n1.COc1ccnc(Cl)n1.O=c1ccnc(-c2cnc3ccccn23)[nH]1.c1ccn2ccnc2c1.
What is the InChIKey of 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?
The InChIKey is BMHVUVGQALYUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O.C11H8N4O.C7H6N2.C5H5ClN2O/c1-17-11-5-6-13-12(15-11)9-8-14-10-4-2-3-7-16(9)10;16-10-4-5-12-11(14-10)8-7-13-9-3-1-2-6-15(8)9;1-2-5-9-6-4-8-7(9)3-1;1-9-4-2-3-7-5(6)8-4/h2-8H,1H3;1-7H,(H,12,14,16);1-6H;2-3H,1H3.
What are the key properties of 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?
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 has a molecular weight of 701.15 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 157393674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).