N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide

C23H24ClN7O — CID 167500502

IUPACN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@@H](C)C4)c4nccnc34)cc(Cl)c2n1
InChIInChI=1S/C23H24ClN7O/c1-13-9-30(10-14(2)27-13)19-5-4-17(20-21(19)26-7-6-25-20)23(32)29-16-8-18(24)22-28-15(3)11-31(22)12-16/h4-8,11-14,27H,9-10H2,1-3H3,(H,29,32)/t13-,14-/m0/s1
InChIKeyGGOQXDOQTUDXHO-KBPBESRZSA-N
MW449.95 g/mol
LogP3.68
Rot. Bonds3

About N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide

N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide (PubChem CID 167500502) has the molecular formula C23H24ClN7O and a molecular weight of 449.95 g/mol. Its IUPAC name is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
PubChem CID167500502
Molecular FormulaC23H24ClN7O
Molecular Weight449.95 g/mol
Exact Mass449.17
IUPAC NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@@H](C)C4)c4nccnc34)cc(Cl)c2n1
InChIInChI=1S/C23H24ClN7O/c1-13-9-30(10-14(2)27-13)19-5-4-17(20-21(19)26-7-6-25-20)23(32)29-16-8-18(24)22-28-15(3)11-31(22)12-16/h4-8,11-14,27H,9-10H2,1-3H3,(H,29,32)/t13-,14-/m0/s1
InChIKeyGGOQXDOQTUDXHO-KBPBESRZSA-N
XLogP3.68
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.95
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
CID 167500526
8-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500756
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-2-methylindazole-7-carboxamide
CID 170519230
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)indazole-7-carboxamide
CID 166523450
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3R)-3-(methylamino)pyrrolidin-1-yl]quinoxaline-5-carboxamide
CID 167500253
4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide
CID 167500872
8-[3-[6-[[8-(3,5-dimethylpiperazin-1-yl)-3-methoxyquinoxaline-5-carbonyl]amino]-8-fluoro-2-methylimidazo[1,2-a]pyridin-3-yl]-5-methylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methylquinoxaline-5-carboxamide
CID 167500294
N-[2-(dimethylamino)-1,3-benzoxazol-6-yl]-8-(3,5-dimethylpiperazin-1-yl)quinoxaline-5-carboxamide
CID 167500735
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-[(3R,5R)-3-fluoro-5-methylpiperazin-1-yl]-2-methylimidazo[1,2-a]pyridine-8-carboxamide
CID 167501440
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-[(3S,5R)-3-methyl-5-propan-2-ylpiperazin-1-yl]indazole-7-carboxamide
CID 167501435
4-[(3S,5R)-3,5-dimethylpiperazin-1-yl]-2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)pyrazolo[4,3-c]pyridine-7-carboxamide
CID 167501526

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide (CID 167500502) is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide.
What is the SMILES notation for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The canonical SMILES for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4C[C@H](C)N[C@@H](C)C4)c4nccnc34)cc(Cl)c2n1.
What is the InChIKey of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
The InChIKey is GGOQXDOQTUDXHO-KBPBESRZSA-N. The full InChI is InChI=1S/C23H24ClN7O/c1-13-9-30(10-14(2)27-13)19-5-4-17(20-21(19)26-7-6-25-20)23(32)29-16-8-18(24)22-28-15(3)11-31(22)12-16/h4-8,11-14,27H,9-10H2,1-3H3,(H,29,32)/t13-,14-/m0/s1.
What are the key properties of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide?
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide has a molecular weight of 449.95 g/mol, XLogP of 3.68, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide is sourced from PubChem (CID 167500502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).