tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

C21H22N4O3 — CID 155787602

IUPACtert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14/h5-12H,1-4H3,(H2,22,26)/b16-10+
InChIKeyONDQGRJGQMXQDZ-MHWRWJLKSA-N
MW378.43 g/mol
LogP3.02
Rot. Bonds4

About tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate

tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 155787602) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Nametert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
PubChem CID155787602
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Nametert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C21H22N4O3/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14/h5-12H,1-4H3,(H2,22,26)/b16-10+
InChIKeyONDQGRJGQMXQDZ-MHWRWJLKSA-N
XLogP3.02
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (CID 155787602) is tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is Cc1cccc(/C=C(/C(=O)OC(C)(C)C)c2ccc3ncc(C(N)=O)n3c2)n1.
What is the InChIKey of tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is ONDQGRJGQMXQDZ-MHWRWJLKSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-13-6-5-7-15(24-13)10-16(20(27)28-21(2,3)4)14-8-9-18-23-11-17(19(22)26)25(18)12-14/h5-12H,1-4H3,(H2,22,26)/b16-10+.
What are the key properties of tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 378.43 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 155787602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).