N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide

C21H20ClN7O — CID 166522206

IUPACN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4ccnnc34)cc(Cl)c2n1
InChIInChI=1S/C21H20ClN7O/c1-13-11-29-12-14(10-17(22)20(29)25-13)26-21(30)16-2-3-18(28-8-6-23-7-9-28)15-4-5-24-27-19(15)16/h2-5,10-12,23H,6-9H2,1H3,(H,26,30)
InChIKeyUJDSIIMLBHLVEC-UHFFFAOYSA-N
MW421.89 g/mol
LogP2.90
Rot. Bonds3

About N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide

N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide (PubChem CID 166522206) has the molecular formula C21H20ClN7O and a molecular weight of 421.89 g/mol. Its IUPAC name is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide.

Molecular Properties

Compound NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
PubChem CID166522206
Molecular FormulaC21H20ClN7O
Molecular Weight421.89 g/mol
Exact Mass421.14
IUPAC NameN-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
SMILESCc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4ccnnc34)cc(Cl)c2n1
InChIInChI=1S/C21H20ClN7O/c1-13-11-29-12-14(10-17(22)20(29)25-13)26-21(30)16-2-3-18(28-8-6-23-7-9-28)15-4-5-24-27-19(15)16/h2-5,10-12,23H,6-9H2,1H3,(H,26,30)
InChIKeyUJDSIIMLBHLVEC-UHFFFAOYSA-N
XLogP2.90
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.89
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6,8-dimethylimidazo[1,2-a]pyrazin-2-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166558395
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-methyl-4-(3-methylpiperazin-1-yl)indazole-7-carboxamide
CID 166523450
tert-butyl 4-[8-[(8-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
CID 167500169
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-7-piperazin-1-yl-2H-benzotriazole-4-carboxamide
CID 167501514
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-8-[(3S,5S)-3,5-dimethylpiperazin-1-yl]quinoxaline-5-carboxamide
CID 167500502
2-ethyl-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-ylindazole-7-carboxamide;propane
CID 167500912
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-4-piperazin-1-yl-2-propylindazole-7-carboxamide
CID 167500977
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
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500543
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-[(2R)-2-methoxypropyl]-4-piperazin-1-ylindazole-7-carboxamide
CID 167500934
ethane;N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxypropyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167502185
N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(4-hydroxy-2-methylidenebutyl)-4-piperazin-1-ylindazole-7-carboxamide
CID 167501784

Frequently Asked Questions

What is the IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide?
The IUPAC name of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide (CID 166522206) is N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide.
What is the SMILES notation for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide?
The canonical SMILES for N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide is Cc1cn2cc(NC(=O)c3ccc(N4CCNCC4)c4ccnnc34)cc(Cl)c2n1.
What is the InChIKey of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide?
The InChIKey is UJDSIIMLBHLVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN7O/c1-13-11-29-12-14(10-17(22)20(29)25-13)26-21(30)16-2-3-18(28-8-6-23-7-9-28)15-4-5-24-27-19(15)16/h2-5,10-12,23H,6-9H2,1H3,(H,26,30).
What are the key properties of N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide?
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide has a molecular weight of 421.89 g/mol, XLogP of 2.90, 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)-5-piperazin-1-ylcinnoline-8-carboxamide is sourced from PubChem (CID 166522206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).