2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine

C18H28N4 — CID 82058372

IUPAC2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(C(C)(C)C)c(CN3CCCNCC3)n12
InChIInChI=1S/C18H28N4/c1-14-7-5-8-16-20-17(18(2,3)4)15(22(14)16)13-21-11-6-9-19-10-12-21/h5,7-8,19H,6,9-13H2,1-4H3
InChIKeyKPEVZPZPSMSEDG-UHFFFAOYSA-N
MW300.45 g/mol
LogP2.74
Rot. Bonds2

About 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine

2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine (PubChem CID 82058372) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine
PubChem CID82058372
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC Name2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine
SMILESCc1cccc2nc(C(C)(C)C)c(CN3CCCNCC3)n12
InChIInChI=1S/C18H28N4/c1-14-7-5-8-16-20-17(18(2,3)4)15(22(14)16)13-21-11-6-9-19-10-12-21/h5,7-8,19H,6,9-13H2,1-4H3
InChIKeyKPEVZPZPSMSEDG-UHFFFAOYSA-N
XLogP2.74
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-benzyl-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 94963786
2-(3,4-dimethylphenyl)-5-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 39146345
2-tert-butyl-8-fluoro-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 82529388
4-tert-butyl-5-(piperazin-1-ylmethyl)thiadiazole
CID 65205358
4-tert-butyl-2-(1,4-diazepan-1-ylmethyl)-1,3-thiazole;dihydrochloride
CID 119906320
7-chloro-3-(1,4-diazepan-1-ylmethyl)-2-methylimidazo[1,2-a]pyridine
CID 82343266
6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
5-(1,4-diazepan-1-ylmethyl)-3-(3-methylphenyl)-1,2,4-oxadiazole;hydrochloride
CID 119906013
2-[3-[(4-ethylpiperazin-1-yl)methyl]-5-methylimidazo[1,2-a]pyridin-2-yl]acetic acid
CID 92858132
4-(1,4-diazepan-1-ylmethyl)-2-methyl-1,3-oxazole
CID 121209349
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
1-[[4-(1,4,7,10-tetrazacyclododec-1-ylmethyl)phenyl]methyl]-1,4,8,11-tetrazacyclotetradecane
CID 12979841

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine (CID 82058372) is 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine is Cc1cccc2nc(C(C)(C)C)c(CN3CCCNCC3)n12.
What is the InChIKey of 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine?
The InChIKey is KPEVZPZPSMSEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-14-7-5-8-16-20-17(18(2,3)4)15(22(14)16)13-21-11-6-9-19-10-12-21/h5,7-8,19H,6,9-13H2,1-4H3.
What are the key properties of 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine?
2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine has a molecular weight of 300.45 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-3-(1,4-diazepan-1-ylmethyl)-5-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 82058372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).