(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

C23H22N4O2 — CID 16570118

IUPAC(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C23H22N4O2/c1-16-8-7-13-26-14-19(24-23(16)26)15-29-22(28)12-11-21-17(2)25-27(18(21)3)20-9-5-4-6-10-20/h4-14H,15H2,1-3H3/b12-11+
InChIKeyJNCGVSJELXRXSE-VAWYXSNFSA-N
MW386.46 g/mol
LogP4.20
Rot. Bonds5

About (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate (PubChem CID 16570118) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate.

Molecular Properties

Compound Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
PubChem CID16570118
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate
SMILESCc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1cn2cccc(C)c2n1
InChIInChI=1S/C23H22N4O2/c1-16-8-7-13-26-14-19(24-23(16)26)15-29-22(28)12-11-21-17(2)25-27(18(21)3)20-9-5-4-6-10-20/h4-14H,15H2,1-3H3/b12-11+
InChIKeyJNCGVSJELXRXSE-VAWYXSNFSA-N
XLogP4.20
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.20
H-Bond Donors ≤ 50
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 (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate?
The IUPAC name of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate (CID 16570118) is (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate.
What is the SMILES notation for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate?
The canonical SMILES for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate is Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)OCc1cn2cccc(C)c2n1.
What is the InChIKey of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate?
The InChIKey is JNCGVSJELXRXSE-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-16-8-7-13-26-14-19(24-23(16)26)15-29-22(28)12-11-21-17(2)25-27(18(21)3)20-9-5-4-6-10-20/h4-14H,15H2,1-3H3/b12-11+.
What are the key properties of (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate?
(8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate has a molecular weight of 386.46 g/mol, XLogP of 4.20, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methylimidazo[1,2-a]pyridin-2-yl)methyl (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate is sourced from PubChem (CID 16570118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).