(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

C17H12N4O2 — CID 148572207

IUPAC(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C17H12N4O2/c1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H,22,23)/b15-7+
InChIKeyMXCBBTBSJICCBQ-VIZOYTHASA-N
MW304.31 g/mol
LogP2.53
Rot. Bonds3

About (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid

(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (PubChem CID 148572207) has the molecular formula C17H12N4O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
PubChem CID148572207
Molecular FormulaC17H12N4O2
Molecular Weight304.31 g/mol
Exact Mass304.10
IUPAC Name(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1
InChIInChI=1S/C17H12N4O2/c1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H,22,23)/b15-7+
InChIKeyMXCBBTBSJICCBQ-VIZOYTHASA-N
XLogP2.53
TPSA91.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.53
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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Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (CID 148572207) is (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is Cc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C#N)n3c2)n1.
What is the InChIKey of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The InChIKey is MXCBBTBSJICCBQ-VIZOYTHASA-N. The full InChI is InChI=1S/C17H12N4O2/c1-11-3-2-4-13(20-11)7-15(17(22)23)12-5-6-16-19-9-14(8-18)21(16)10-12/h2-7,9-10H,1H3,(H,22,23)/b15-7+.
What are the key properties of (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
(E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid has a molecular weight of 304.31 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-cyanoimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 148572207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).