3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline

C21H26N4 — CID 39120553

IUPAC3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccn2c(CN3CCCCCC3)c(-c3cccc(N)c3)nc2c1
InChIInChI=1S/C21H26N4/c1-16-9-12-25-19(15-24-10-4-2-3-5-11-24)21(23-20(25)13-16)17-7-6-8-18(22)14-17/h6-9,12-14H,2-5,10-11,15,22H2,1H3
InChIKeyGOFUHPPJWUNXFJ-UHFFFAOYSA-N
MW334.47 g/mol
LogP4.27
Rot. Bonds3

About 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline

3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline (PubChem CID 39120553) has the molecular formula C21H26N4 and a molecular weight of 334.47 g/mol. Its IUPAC name is 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline.

Molecular Properties

Compound Name3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
PubChem CID39120553
Molecular FormulaC21H26N4
Molecular Weight334.47 g/mol
Exact Mass334.22
IUPAC Name3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
SMILESCc1ccn2c(CN3CCCCCC3)c(-c3cccc(N)c3)nc2c1
InChIInChI=1S/C21H26N4/c1-16-9-12-25-19(15-24-10-4-2-3-5-11-24)21(23-20(25)13-16)17-7-6-8-18(22)14-17/h6-9,12-14H,2-5,10-11,15,22H2,1H3
InChIKeyGOFUHPPJWUNXFJ-UHFFFAOYSA-N
XLogP4.27
TPSA46.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-[3-(diethylaminomethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline
CID 39120603
4-[7-methyl-3-[(4-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028975
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
3-[6-methyl-3-[(2-methylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 82028938
3-[5-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 39120486
2-(3,4-dimethoxyphenyl)-7-methyl-3-(piperazin-1-ylmethyl)imidazo[1,2-a]pyridine
CID 2758460
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[2,1-a]isoquinoline
CID 3615651
3-[3-[(dimethylamino)methyl]imidazo[1,2-a]pyridin-2-yl]aniline
CID 39120445
azepan-1-yl-[7-methyl-3-[(4-methylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methanone
CID 56877917
2-(3-cyclopropylphenyl)-7-methylimidazo[1,2-a]pyridin-3-amine
CID 79973037
2-(4-tert-butylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 110311811
3-(azepan-1-ylmethyl)aniline
CID 6484183

Frequently Asked Questions

What is the IUPAC name of 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline?
The IUPAC name of 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline (CID 39120553) is 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline.
What is the SMILES notation for 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline?
The canonical SMILES for 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline is Cc1ccn2c(CN3CCCCCC3)c(-c3cccc(N)c3)nc2c1.
What is the InChIKey of 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline?
The InChIKey is GOFUHPPJWUNXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4/c1-16-9-12-25-19(15-24-10-4-2-3-5-11-24)21(23-20(25)13-16)17-7-6-8-18(22)14-17/h6-9,12-14H,2-5,10-11,15,22H2,1H3.
What are the key properties of 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline?
3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline has a molecular weight of 334.47 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(azepan-1-ylmethyl)-7-methylimidazo[1,2-a]pyridin-2-yl]aniline is sourced from PubChem (CID 39120553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).