3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

C25H28N4O2 — CID 134108516

IUPAC3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCCCCCC3)n2c1
InChIInChI=1S/C25H28N4O2/c1-2-14-26-25(31)20-10-13-23-27-24(19-8-11-21(30)12-9-19)22(29(23)17-20)18-28-15-6-4-3-5-7-16-28/h1,8-13,17,30H,3-7,14-16,18H2,(H,26,31)
InChIKeyUGJORGFHXUIPMU-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.84
Rot. Bonds5

About 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134108516) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID134108516
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC Name3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCCCCCC3)n2c1
InChIInChI=1S/C25H28N4O2/c1-2-14-26-25(31)20-10-13-23-27-24(19-8-11-21(30)12-9-19)22(29(23)17-20)18-28-15-6-4-3-5-7-16-28/h1,8-13,17,30H,3-7,14-16,18H2,(H,26,31)
InChIKeyUGJORGFHXUIPMU-UHFFFAOYSA-N
XLogP3.84
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4-benzylpiperidin-1-yl)methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108512
3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108514
1-[[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2757434
2-(4-methylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 165344231
2-(4-tert-butylphenyl)-3-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridin-6-amine
CID 110311811
1-[2-(4-chlorophenyl)-3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]butan-1-one
CID 157343544
2-(4-cyanophenyl)-N,N-bis(3-methylbutyl)-3-(3-pyrrolidin-1-ylpropyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 25199514
1-[1-[[2-(4-chlorophenyl)-6-phenylimidazo[1,2-a]pyridin-3-yl]methyl]piperidin-4-yl]-2-methoxyethanone
CID 121309686
2-(4-methoxyphenyl)-3-[(4-methyl-1,4-diazepan-1-yl)methyl]-6-pyridin-4-ylimidazo[1,2-a]pyridine
CID 66556604
[4-[[6-(2-chlorophenyl)-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperazin-1-yl]-cyclobutylmethanone
CID 83288509
2,3-bis(4-chlorophenyl)-N-pentylimidazo[1,2-a]pyridine-6-carboxamide
CID 24743398
1-[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]piperidine-4-carboxylic acid
CID 2759101

Frequently Asked Questions

What is the IUPAC name of 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (CID 134108516) is 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is C#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN3CCCCCCC3)n2c1.
What is the InChIKey of 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is UGJORGFHXUIPMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-2-14-26-25(31)20-10-13-23-27-24(19-8-11-21(30)12-9-19)22(29(23)17-20)18-28-15-6-4-3-5-7-16-28/h1,8-13,17,30H,3-7,14-16,18H2,(H,26,31).
What are the key properties of 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 3.84, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134108516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).