6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile

C21H16ClN5O — CID 86618525

IUPAC6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESCOc1ccc(CN(c2ccccc2)c2c(C#N)c(Cl)nn3ccnc23)cc1
InChIInChI=1S/C21H16ClN5O/c1-28-17-9-7-15(8-10-17)14-26(16-5-3-2-4-6-16)19-18(13-23)20(22)25-27-12-11-24-21(19)27/h2-12H,14H2,1H3
InChIKeyAGCCLIRQOYTWPU-UHFFFAOYSA-N
MW389.85 g/mol
LogP4.60
Rot. Bonds5

About 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile

6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile (PubChem CID 86618525) has the molecular formula C21H16ClN5O and a molecular weight of 389.85 g/mol. Its IUPAC name is 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile.

Molecular Properties

Compound Name6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile
PubChem CID86618525
Molecular FormulaC21H16ClN5O
Molecular Weight389.85 g/mol
Exact Mass389.10
IUPAC Name6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile
SMILESCOc1ccc(CN(c2ccccc2)c2c(C#N)c(Cl)nn3ccnc23)cc1
InChIInChI=1S/C21H16ClN5O/c1-28-17-9-7-15(8-10-17)14-26(16-5-3-2-4-6-16)19-18(13-23)20(22)25-27-12-11-24-21(19)27/h2-12H,14H2,1H3
InChIKeyAGCCLIRQOYTWPU-UHFFFAOYSA-N
XLogP4.60
TPSA66.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.85
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dichloroimidazo[1,2-b]pyridazine-7-carbonitrile
CID 86644108
2-chloro-N-cyclopropyl-N-[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 141386417
N-[(4-methoxyphenyl)methyl]-5-methyl-N-phenyl-1,2-oxazol-3-amine
CID 91053998
N-phenyl-N-[[4-[[4-[(N-phenylanilino)methyl]phenoxy]methoxy]phenyl]methyl]aniline
CID 15701550
2-heptan-4-yloxy-N,N-bis[(4-methoxyphenyl)methyl]imidazo[2,1-f][1,2,4]triazin-4-amine
CID 155777750
CID 158001068
CID 158001068
6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]-N-(2-methyl-4-pyridinyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624628
N-[3-(4-methoxyphenyl)propyl]-N,2-dimethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 86821324
8-[ethyl-[(4-methoxyphenyl)methyl]amino]-6-methylimidazo[1,2-b]pyridazine-3-carbonitrile
CID 70959519
3-amino-5-anilino-1-[(4-methoxyphenyl)methyl]pyrazole-4-carbonitrile
CID 118956532
4-chloro-6-(4-methoxyphenyl)-2-pyridin-2-ylpyrimidine-5-carbonitrile
CID 18525977
2-chloro-N-(3-chlorophenyl)-N-[(4-methoxyphenyl)methyl]aniline
CID 174932944

Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile?
The IUPAC name of 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile (CID 86618525) is 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile.
What is the SMILES notation for 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile?
The canonical SMILES for 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile is COc1ccc(CN(c2ccccc2)c2c(C#N)c(Cl)nn3ccnc23)cc1.
What is the InChIKey of 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile?
The InChIKey is AGCCLIRQOYTWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN5O/c1-28-17-9-7-15(8-10-17)14-26(16-5-3-2-4-6-16)19-18(13-23)20(22)25-27-12-11-24-21(19)27/h2-12H,14H2,1H3.
What are the key properties of 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile?
6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile has a molecular weight of 389.85 g/mol, XLogP of 4.60, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-[N-[(4-methoxyphenyl)methyl]anilino]imidazo[1,2-b]pyridazine-7-carbonitrile is sourced from PubChem (CID 86618525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).