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

C14H20N4 — CID 64859024

IUPAC2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1CN(Cc2cn3ccccc3n2)CCCN1
InChIInChI=1S/C14H20N4/c1-12-9-17(7-4-6-15-12)10-13-11-18-8-3-2-5-14(18)16-13/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3
InChIKeyGDSWGGAAULUBIN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.52
Rot. Bonds2

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

2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 64859024) has the molecular formula C14H20N4 and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID64859024
Molecular FormulaC14H20N4
Molecular Weight244.34 g/mol
Exact Mass244.17
IUPAC Name2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1CN(Cc2cn3ccccc3n2)CCCN1
InChIInChI=1S/C14H20N4/c1-12-9-17(7-4-6-15-12)10-13-11-18-8-3-2-5-14(18)16-13/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3
InChIKeyGDSWGGAAULUBIN-UHFFFAOYSA-N
XLogP1.52
TPSA32.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64833998
(3S)-1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidin-3-amine
CID 129366305
2-[(3-butan-2-ylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64831720
2-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 94920556
1-(imidazo[1,2-a]pyridin-2-ylmethyl)pyrrolidin-3-ol
CID 62918360
2-[(3-bromopyrrolidin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 80677191
[1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylpiperidin-3-yl]methanamine
CID 114959821
1-(imidazo[1,2-a]pyridin-2-ylmethyl)piperidine-3-carboxylic acid
CID 43385952
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane
CID 64948769
2-[(3-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrimidine
CID 65450164
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975427
2-[[(2S,6R)-2,6-dimethylpiperidin-1-yl]methyl]imidazo[1,2-a]pyridine
CID 7039929

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine (CID 64859024) is 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is CC1CN(Cc2cn3ccccc3n2)CCCN1.
What is the InChIKey of 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is GDSWGGAAULUBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4/c1-12-9-17(7-4-6-15-12)10-13-11-18-8-3-2-5-14(18)16-13/h2-3,5,8,11-12,15H,4,6-7,9-10H2,1H3.
What are the key properties of 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine?
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 244.34 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 64859024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).