2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

C42H42Cl2N12O2 — CID 158426615

IUPAC2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc(Cl)c2n1
InChIInChI=1S/2C21H21ClN6O/c2*1-13-9-26(6-5-23-13)16-3-4-19-25-18(8-20(29)28(19)12-16)15-7-17(22)21-24-14(2)10-27(21)11-15/h2*3-4,7-8,10-13,23H,5-6,9H2,1-2H3/t2*13-/m10/s1
InChIKeyHBCYZKGBFKCKEG-JACLSRQLSA-N
MW817.79 g/mol
LogP5.54
Rot. Bonds4

About 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one

2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 158426615) has the molecular formula C42H42Cl2N12O2 and a molecular weight of 817.79 g/mol. Its IUPAC name is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID158426615
Molecular FormulaC42H42Cl2N12O2
Molecular Weight817.79 g/mol
Exact Mass816.29
IUPAC Name2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc(Cl)c2n1
InChIInChI=1S/2C21H21ClN6O/c2*1-13-9-26(6-5-23-13)16-3-4-19-25-18(8-20(29)28(19)12-16)15-7-17(22)21-24-14(2)10-27(21)11-15/h2*3-4,7-8,10-13,23H,5-6,9H2,1-2H3/t2*13-/m10/s1
InChIKeyHBCYZKGBFKCKEG-JACLSRQLSA-N
XLogP5.54
TPSA133.88 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds4
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500817.79
LogP ≤ 55.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

N-(1-azabicyclo[2.2.2]octan-3-yl)-6-chloroimidazo[1,2-a]pyridine-8-carboxamide
CID 60132884
2-(2,8-Dimethylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-4-one
CID 89739516
1-[3-[[3-(7-chloro-5H-pyrrolo[2,3-b]pyrazin-2-yl)-6-methyl-2-pyridinyl]amino]piperidin-1-yl]ethanone
CID 58177414
5-chloro-N-[4-(5-chloroimidazo[1,2-a]pyridin-3-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]pyridine-2-carboxamide
CID 117902411
5-chloro-N-[4-(7,8-dimethylpurin-6-yl)-6-[2-(methylamino)propanoylamino]-2-pyridinyl]pyridine-2-carboxamide
CID 117903048
4-[(5-chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-N-ethylpiperidine-1-carboxamide
CID 44440215
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-pyridin-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656300
7-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-N-pyridin-3-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-2-carboxamide
CID 90656301
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]pyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051599
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051601
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-5-methylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051618
1-[4-[4-[(5-Chloro-4-imidazo[1,2-a]pyridin-3-ylpyrimidin-2-yl)amino]-3,5-dimethylpyrazol-1-yl]piperidin-1-yl]ethanone
CID 127051619

Frequently Asked Questions

What is the IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one (CID 158426615) is 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@@H](C)C5)ccc4n3)cc(Cl)c2n1.Cc1cn2cc(-c3cc(=O)n4cc(N5CCN[C@H](C)C5)ccc4n3)cc(Cl)c2n1.
What is the InChIKey of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is HBCYZKGBFKCKEG-JACLSRQLSA-N. The full InChI is InChI=1S/2C21H21ClN6O/c2*1-13-9-26(6-5-23-13)16-3-4-19-25-18(8-20(29)28(19)12-16)15-7-17(22)21-24-14(2)10-27(21)11-15/h2*3-4,7-8,10-13,23H,5-6,9H2,1-2H3/t2*13-/m10/s1.
What are the key properties of 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one?
2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 817.79 g/mol, XLogP of 5.54, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one;2-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-[(3R)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 158426615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).