2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine

C17H26N4 — CID 64870552

IUPAC2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC(C)C1CN(Cc2cn3ccccc3n2)C(C)CCN1
InChIInChI=1S/C17H26N4/c1-13(2)16-12-21(14(3)7-8-18-16)11-15-10-20-9-5-4-6-17(20)19-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3
InChIKeyVNJLIPBMAKRKMG-UHFFFAOYSA-N
MW286.42 g/mol
LogP2.54
Rot. Bonds3

About 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine

2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 64870552) has the molecular formula C17H26N4 and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID64870552
Molecular FormulaC17H26N4
Molecular Weight286.42 g/mol
Exact Mass286.22
IUPAC Name2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC(C)C1CN(Cc2cn3ccccc3n2)C(C)CCN1
InChIInChI=1S/C17H26N4/c1-13(2)16-12-21(14(3)7-8-18-16)11-15-10-20-9-5-4-6-17(20)19-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3
InChIKeyVNJLIPBMAKRKMG-UHFFFAOYSA-N
XLogP2.54
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine with MolForge

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Related Compounds

2-[(5-ethyl-2-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64841330
2-[(3-ethyl-3,7-dimethyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64871260
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64878983
2-[(2,6-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine bromide
CID 53347072
7-methyl-1-(2-phenylethyl)-3-propan-2-yl-1,4-diazepane
CID 64870549
2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 45366493
2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[[4-(1-phenylethyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 134011284

Frequently Asked Questions

What is the IUPAC name of 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (CID 64870552) is 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is CC(C)C1CN(Cc2cn3ccccc3n2)C(C)CCN1.
What is the InChIKey of 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is VNJLIPBMAKRKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4/c1-13(2)16-12-21(14(3)7-8-18-16)11-15-10-20-9-5-4-6-17(20)19-15/h4-6,9-10,13-14,16,18H,7-8,11-12H2,1-3H3.
What are the key properties of 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 286.42 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-methyl-3-propan-2-yl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 64870552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).