3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

C28H28N4O2 — CID 134108514

IUPAC3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN(Cc3ccccc3)C(C)C)n2c1
InChIInChI=1S/C28H28N4O2/c1-4-16-29-28(34)23-12-15-26-30-27(22-10-13-24(33)14-11-22)25(32(26)18-23)19-31(20(2)3)17-21-8-6-5-7-9-21/h1,5-15,18,20,33H,16-17,19H2,2-3H3,(H,29,34)
InChIKeyOFZADKVRPZVTQD-UHFFFAOYSA-N
MW452.56 g/mol
LogP4.48
Rot. Bonds8

About 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide

3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 134108514) has the molecular formula C28H28N4O2 and a molecular weight of 452.56 g/mol. Its IUPAC name is 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
PubChem CID134108514
Molecular FormulaC28H28N4O2
Molecular Weight452.56 g/mol
Exact Mass452.22
IUPAC Name3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
SMILESC#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN(Cc3ccccc3)C(C)C)n2c1
InChIInChI=1S/C28H28N4O2/c1-4-16-29-28(34)23-12-15-26-30-27(22-10-13-24(33)14-11-22)25(32(26)18-23)19-31(20(2)3)17-21-8-6-5-7-9-21/h1,5-15,18,20,33H,16-17,19H2,2-3H3,(H,29,34)
InChIKeyOFZADKVRPZVTQD-UHFFFAOYSA-N
XLogP4.48
TPSA69.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 54.48
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-(azocan-1-ylmethyl)-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide
CID 134108516
3-[[benzyl(methyl)amino]methyl]-2-(4-bromophenyl)-N-ethylimidazo[1,2-a]pyridine-6-carboxamide
CID 10184107
3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridin-6-amine
CID 110311696
3-[[benzyl(methyl)amino]methyl]-2-phenylimidazo[1,2-a]pyridin-6-amine
CID 39130256
4-methyl-N-[(2-phenylimidazo[1,2-a]pyridin-3-yl)methyl]benzamide
CID 54857010
N-[3-[benzyl(propan-2-yl)amino]propyl]-2,3-bis(4-methoxyphenyl)quinoxaline-6-carboxamide
CID 46371796
methyl 3-[(3-fluorophenyl)methyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxylate
CID 53299477
N-[(2S)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide
CID 96579471
N-benzyl-3-(2,6-diphenylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 91634258
2-[6-chloro-2-(4-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-diethylacetamide
CID 24945186
3-(hydroxymethyl)-N-[2-(1H-imidazol-5-yl)ethyl]-2-(4-methylphenyl)imidazo[1,2-a]pyridine-6-carboxamide
CID 144756223

Frequently Asked Questions

What is the IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide (CID 134108514) is 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is C#CCNC(=O)c1ccc2nc(-c3ccc(O)cc3)c(CN(Cc3ccccc3)C(C)C)n2c1.
What is the InChIKey of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is OFZADKVRPZVTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N4O2/c1-4-16-29-28(34)23-12-15-26-30-27(22-10-13-24(33)14-11-22)25(32(26)18-23)19-31(20(2)3)17-21-8-6-5-7-9-21/h1,5-15,18,20,33H,16-17,19H2,2-3H3,(H,29,34).
What are the key properties of 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide?
3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 4.48, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[benzyl(propan-2-yl)amino]methyl]-2-(4-hydroxyphenyl)-N-prop-2-ynylimidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 134108514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).