2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

C28H30N4O3 — CID 167579451

IUPAC2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1
InChIInChI=1S/C28H30N4O3/c1-2-24(33)31-17-14-19(15-18-31)23-9-6-16-32-26(27(29)34)25(30-28(23)32)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h2-5,7-8,10-13,19,23H,1,6,9,14-18H2,(H2,29,34)
InChIKeyGZDXHKZAEMNEEX-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.74
Rot. Bonds6

About 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide

2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 167579451) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID167579451
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
SMILESC=CC(=O)N1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1
InChIInChI=1S/C28H30N4O3/c1-2-24(33)31-17-14-19(15-18-31)23-9-6-16-32-26(27(29)34)25(30-28(23)32)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h2-5,7-8,10-13,19,23H,1,6,9,14-18H2,(H2,29,34)
InChIKeyGZDXHKZAEMNEEX-UHFFFAOYSA-N
XLogP4.74
TPSA90.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-(4-phenoxyphenyl)-8-(1-prop-2-enoylazetidin-3-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167595271
8-(1-cyanopiperidin-4-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide
CID 167614384
(E)-but-2-enoyl chloride;8-[1-[(E)-but-2-enoyl]piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167619044
6-(3-methoxy-1-prop-2-enoylpiperidin-4-yl)-2-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 170639729
8-[1-(2-cyano-3-cyclopropylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 164884672
2-(4-phenoxyphenyl)-8-[1-[(E)-4,4,4-trifluoro-1-hydroxybut-2-enyl]piperidin-4-yl]-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167270276
2-methylprop-2-enoyl chloride;8-[1-(2-methylprop-2-enoyl)piperidin-4-yl]-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide;2-(4-phenoxyphenyl)-8-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 167666885
5-(cyclopropylamino)-3-(4-phenoxyphenyl)-1-(1-prop-2-enoylpiperidin-3-yl)pyrazole-4-carboxamide
CID 75204139
(9S)-4-(4-phenoxyphenyl)-11-prop-2-enoyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-3,5-diene-5-carboxamide
CID 144735873
8-(1-but-2-ynylazetidin-3-yl)-2-(4-phenoxyphenyl)-5,6,7,8-tetrahydroimidazo[1,2-b]pyridazine-3-carboxamide
CID 175551169
1-[4-[7-(4-phenoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-5-yl]piperidin-1-yl]prop-2-en-1-one
CID 130294635
1-[(2S)-2-[1-(4-phenoxyphenyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 130409158

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide (CID 167579451) is 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is C=CC(=O)N1CCC(C2CCCn3c2nc(-c2ccc(Oc4ccccc4)cc2)c3C(N)=O)CC1.
What is the InChIKey of 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is GZDXHKZAEMNEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-2-24(33)31-17-14-19(15-18-31)23-9-6-16-32-26(27(29)34)25(30-28(23)32)20-10-12-22(13-11-20)35-21-7-4-3-5-8-21/h2-5,7-8,10-13,19,23H,1,6,9,14-18H2,(H2,29,34).
What are the key properties of 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide?
2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 470.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxyphenyl)-8-(1-prop-2-enoylpiperidin-4-yl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 167579451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).