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

C18H16N4O3 — CID 155787566

IUPACmethyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C18H16N4O3/c1-11-4-3-5-13(21-11)8-14(18(24)25-2)12-6-7-16-20-9-15(17(19)23)22(16)10-12/h3-10H,1-2H3,(H2,19,23)/b14-8+
InChIKeyNQRXSSNTPWBVQG-RIYZIHGNSA-N
MW336.35 g/mol
LogP1.85
Rot. Bonds4

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

methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (PubChem CID 155787566) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.

Molecular Properties

Compound Namemethyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
PubChem CID155787566
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Namemethyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate
SMILESCOC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C(N)=O)n2c1
InChIInChI=1S/C18H16N4O3/c1-11-4-3-5-13(21-11)8-14(18(24)25-2)12-6-7-16-20-9-15(17(19)23)22(16)10-12/h3-10H,1-2H3,(H2,19,23)/b14-8+
InChIKeyNQRXSSNTPWBVQG-RIYZIHGNSA-N
XLogP1.85
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The IUPAC name of methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate (CID 155787566) is methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate.
What is the SMILES notation for methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The canonical SMILES for methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is COC(=O)/C(=C/c1cccc(C)n1)c1ccc2ncc(C(N)=O)n2c1.
What is the InChIKey of methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
The InChIKey is NQRXSSNTPWBVQG-RIYZIHGNSA-N. The full InChI is InChI=1S/C18H16N4O3/c1-11-4-3-5-13(21-11)8-14(18(24)25-2)12-6-7-16-20-9-15(17(19)23)22(16)10-12/h3-10H,1-2H3,(H2,19,23)/b14-8+.
What are the key properties of methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate?
methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate has a molecular weight of 336.35 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (E)-2-(3-carbamoylimidazo[1,2-a]pyridin-6-yl)-3-(6-methyl-2-pyridinyl)prop-2-enoate is sourced from PubChem (CID 155787566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).