2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine

C27H35ClN4O2 — CID 135335495

IUPAC2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCN(CC5CCCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H35ClN4O2/c1-33-25-17-26(34-2)23(28)16-22(25)24-19-32-12-9-21(15-27(32)29-24)31-11-6-10-30(13-14-31)18-20-7-4-3-5-8-20/h9,12,15-17,19-20H,3-8,10-11,13-14,18H2,1-2H3
InChIKeyHWCYITXBMHXRCN-UHFFFAOYSA-N
MW483.06 g/mol
LogP5.76
Rot. Bonds6

About 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine

2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine (PubChem CID 135335495) has the molecular formula C27H35ClN4O2 and a molecular weight of 483.06 g/mol. Its IUPAC name is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
PubChem CID135335495
Molecular FormulaC27H35ClN4O2
Molecular Weight483.06 g/mol
Exact Mass482.24
IUPAC Name2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
SMILESCOc1cc(OC)c(-c2cn3ccc(N4CCCN(CC5CCCCC5)CC4)cc3n2)cc1Cl
InChIInChI=1S/C27H35ClN4O2/c1-33-25-17-26(34-2)23(28)16-22(25)24-19-32-12-9-21(15-27(32)29-24)31-11-6-10-30(13-14-31)18-20-7-4-3-5-8-20/h9,12,15-17,19-20H,3-8,10-11,13-14,18H2,1-2H3
InChIKeyHWCYITXBMHXRCN-UHFFFAOYSA-N
XLogP5.76
TPSA42.24 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.06
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-chloro-2-[7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914446
[4-chloro-2-[7-[4-(cyclopentylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridin-2-yl]-5-methoxyphenyl]methanol
CID 140914663
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-methylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135335286
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-piperazin-1-ylethyl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135335453
1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]-N,N-dimethylpiperidin-4-amine
CID 135335326
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(2-pyrrolidin-1-ylpyrimidin-5-yl)piperazin-1-yl]imidazo[1,2-a]pyridine
CID 135281275
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(trifluoromethylsulfonyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine
CID 135335056
2-(5-chloro-2,4-dimethoxyphenyl)-7-piperazin-1-ylimidazo[1,2-a]pyridine
CID 135281250
1-[5-[4-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperazin-1-yl]pyrimidin-2-yl]piperidin-3-amine
CID 135281269
ethyl 1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidine-4-carboxylate
CID 135281370
2-(5-chloro-2,4-dimethoxyphenyl)-7-(4-propan-2-ylsulfonylpiperazin-1-yl)imidazo[1,2-a]pyridine
CID 135334872
tert-butyl-[2-[1-[2-(5-chloro-2,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-7-yl]piperidin-4-yl]ethyl]carbamic acid
CID 135335366

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine (CID 135335495) is 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine is COc1cc(OC)c(-c2cn3ccc(N4CCCN(CC5CCCCC5)CC4)cc3n2)cc1Cl.
What is the InChIKey of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine?
The InChIKey is HWCYITXBMHXRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35ClN4O2/c1-33-25-17-26(34-2)23(28)16-22(25)24-19-32-12-9-21(15-27(32)29-24)31-11-6-10-30(13-14-31)18-20-7-4-3-5-8-20/h9,12,15-17,19-20H,3-8,10-11,13-14,18H2,1-2H3.
What are the key properties of 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine?
2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine has a molecular weight of 483.06 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,4-dimethoxyphenyl)-7-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 135335495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).