1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

C29H32ClFN4O2 — CID 135335203

IUPAC1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1cc(OC)c(-c2cn3ccc(NC4CCC(N(C)Cc5ccc(F)cc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C29H32ClFN4O2/c1-34(17-19-4-6-20(31)7-5-19)23-10-8-21(9-11-23)32-22-12-13-35-18-26(33-29(35)14-22)24-15-25(30)28(37-3)16-27(24)36-2/h4-7,12-16,18,21,23,32H,8-11,17H2,1-3H3
InChIKeyAPIFWAMKESXHEK-UHFFFAOYSA-N
MW523.05 g/mol
LogP6.67
Rot. Bonds8

About 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine

1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (PubChem CID 135335203) has the molecular formula C29H32ClFN4O2 and a molecular weight of 523.05 g/mol. Its IUPAC name is 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
PubChem CID135335203
Molecular FormulaC29H32ClFN4O2
Molecular Weight523.05 g/mol
Exact Mass522.22
IUPAC Name1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine
SMILESCOc1cc(OC)c(-c2cn3ccc(NC4CCC(N(C)Cc5ccc(F)cc5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C29H32ClFN4O2/c1-34(17-19-4-6-20(31)7-5-19)23-10-8-21(9-11-23)32-22-12-13-35-18-26(33-29(35)14-22)24-15-25(30)28(37-3)16-27(24)36-2/h4-7,12-16,18,21,23,32H,8-11,17H2,1-3H3
InChIKeyAPIFWAMKESXHEK-UHFFFAOYSA-N
XLogP6.67
TPSA51.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.05
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine with MolForge

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Related Compounds

(S)-1-(2-(5-Chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl)-N-(pyridin-4-ylmethyl)pyrrolidin-3-amine
CID 135281262
example 203 [WO2017058503A1]
CID 140914460
N'-[2-(5-chloro-2,4-dimethoxyphenyl)-7-methoxyimidazo[1,2-a]pyridin-6-yl]ethane-1,2-diamine
CID 135334973
1-[3-[2-Chloro-4-[3-(cyclohexylamino)-6-methylimidazo[1,2-a]pyridin-2-yl]phenoxy]propyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 71575560
N-benzyl-7-(4-cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-amine
CID 168271709
7-(4-Cyclopentylpiperazin-1-yl)-2-(2,4-dimethoxyphenyl)imidazo[1,2-a]pyridine
CID 168273245
2-(2,4-dimethoxyphenyl)-N-(3-imidazol-1-ylpropyl)imidazo[1,2-a]pyridin-7-amine
CID 168274048
2-(2,4-dimethoxyphenyl)-N,N-dimethylimidazo[1,2-a]pyridin-7-amine
CID 168275531
2-(2,4-Dimethoxyphenyl)-7-(4-propan-2-ylpiperazin-1-yl)-3-(pyrrolidin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 168276153
2-(4-Methoxy-2-phenylmethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168276718
7-(4-Cyclopentylpiperazin-1-yl)-2-(4-methoxy-2-phenylmethoxyphenyl)imidazo[1,2-a]pyridine
CID 168276907
2-[4-Methoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 168278411

Frequently Asked Questions

What is the IUPAC name of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine (CID 135335203) is 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is COc1cc(OC)c(-c2cn3ccc(NC4CCC(N(C)Cc5ccc(F)cc5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is APIFWAMKESXHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32ClFN4O2/c1-34(17-19-4-6-20(31)7-5-19)23-10-8-21(9-11-23)32-22-12-13-35-18-26(33-29(35)14-22)24-15-25(30)28(37-3)16-27(24)36-2/h4-7,12-16,18,21,23,32H,8-11,17H2,1-3H3.
What are the key properties of 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine?
1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 523.05 g/mol, XLogP of 6.67, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-4-N-[(4-fluorophenyl)methyl]-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 135335203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).