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

C17H14N4O3 — CID 155787570

IUPAC(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C17H14N4O3/c1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11/h2-9H,1H3,(H2,18,22)(H,23,24)/b13-7+
InChIKeyBSUBWSIKDNCXPO-NTUHNPAUSA-N
MW322.32 g/mol
LogP1.76
Rot. Bonds4

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

(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (PubChem CID 155787570) has the molecular formula C17H14N4O3 and a molecular weight of 322.32 g/mol. Its IUPAC name is (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
PubChem CID155787570
Molecular FormulaC17H14N4O3
Molecular Weight322.32 g/mol
Exact Mass322.11
IUPAC Name(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid
SMILESCc1cccc(/C=C(/C(=O)O)c2ccc3ncc(C(N)=O)n3c2)n1
InChIInChI=1S/C17H14N4O3/c1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11/h2-9H,1H3,(H2,18,22)(H,23,24)/b13-7+
InChIKeyBSUBWSIKDNCXPO-NTUHNPAUSA-N
XLogP1.76
TPSA110.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
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-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The IUPAC name of (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid (CID 155787570) is (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid.
What is the SMILES notation for (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The canonical SMILES for (E)-2-(3-carbamoylimidazo[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)=O)n3c2)n1.
What is the InChIKey of (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
The InChIKey is BSUBWSIKDNCXPO-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H14N4O3/c1-10-3-2-4-12(20-10)7-13(17(23)24)11-5-6-15-19-8-14(16(18)22)21(15)9-11/h2-9H,1H3,(H2,18,22)(H,23,24)/b13-7+.
What are the key properties of (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid?
(E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid has a molecular weight of 322.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoic acid is sourced from PubChem (CID 155787570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).