2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine

C16H22N6 — CID 170425604

IUPAC2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1(C)CCN(Cc2ccc3nc(CN=[N+]=[N-])cn3c2)CC1
InChIInChI=1S/C16H22N6/c1-16(2)5-7-21(8-6-16)10-13-3-4-15-19-14(9-18-20-17)12-22(15)11-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKTAMKQSHJIWVBK-UHFFFAOYSA-N
MW298.39 g/mol
LogP3.77
Rot. Bonds4

About 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine

2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine (PubChem CID 170425604) has the molecular formula C16H22N6 and a molecular weight of 298.39 g/mol. Its IUPAC name is 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
PubChem CID170425604
Molecular FormulaC16H22N6
Molecular Weight298.39 g/mol
Exact Mass298.19
IUPAC Name2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine
SMILESCC1(C)CCN(Cc2ccc3nc(CN=[N+]=[N-])cn3c2)CC1
InChIInChI=1S/C16H22N6/c1-16(2)5-7-21(8-6-16)10-13-3-4-15-19-14(9-18-20-17)12-22(15)11-13/h3-4,11-12H,5-10H2,1-2H3
InChIKeyKTAMKQSHJIWVBK-UHFFFAOYSA-N
XLogP3.77
TPSA69.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

5-(4,4-difluoropiperidin-1-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970873
N-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-fluoro-4-oxochromene-2-carboxamide
CID 155167645
2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-5-(2-pyridin-4-ylethynyl)-2,7-naphthyridin-1-one
CID 168970740
5-(2,7-diazaspiro[3.5]nonan-2-yl)-2-[[6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-2-yl]methyl]-2,7-naphthyridin-1-one
CID 168970918
2-(azidomethyl)-6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridine
CID 139488323
1-[(4-bromophenyl)methyl]-4,4-dimethylpiperidine
CID 58266760
1-[[2-[(5-bromo-1-oxo-2,7-naphthyridin-2-yl)methyl]imidazo[1,2-a]pyridin-6-yl]methyl]-4-methylpiperidine-4-carbonitrile
CID 168971081
1-(imidazo[1,2-a]pyridin-2-ylmethyl)-4-methylazepan-4-ol
CID 107408411
[4-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]-(4-ethylphenyl)methanone
CID 134043496
1-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperidin-3-amine;dihydrochloride
CID 119910049
2-[4-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]piperazin-1-yl]acetic acid
CID 43521725
[6-[(4,4-dimethylpiperidin-1-yl)methyl]-2-pyridinyl]hydrazine
CID 79234596

Frequently Asked Questions

What is the IUPAC name of 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine (CID 170425604) is 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine is CC1(C)CCN(Cc2ccc3nc(CN=[N+]=[N-])cn3c2)CC1.
What is the InChIKey of 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine?
The InChIKey is KTAMKQSHJIWVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6/c1-16(2)5-7-21(8-6-16)10-13-3-4-15-19-14(9-18-20-17)12-22(15)11-13/h3-4,11-12H,5-10H2,1-2H3.
What are the key properties of 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine?
2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine has a molecular weight of 298.39 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azidomethyl)-6-[(4,4-dimethylpiperidin-1-yl)methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 170425604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).