(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide

C20H16N8O2 — CID 146407934

IUPAC(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncnn12
InChIInChI=1S/C20H16N8O2/c21-16(29)5-4-15-13(3-6-17-22-11-23-28(15)17)19-18(24-20-26(19)9-10-30-20)14-7-8-27(25-14)12-1-2-12/h3-12H,1-2H2,(H2,21,29)/b5-4+
InChIKeyCELHUQIQLQHCRD-SNAWJCMRSA-N
MW400.40 g/mol
LogP2.33
Rot. Bonds5

About (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide

(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide (PubChem CID 146407934) has the molecular formula C20H16N8O2 and a molecular weight of 400.40 g/mol. Its IUPAC name is (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
PubChem CID146407934
Molecular FormulaC20H16N8O2
Molecular Weight400.40 g/mol
Exact Mass400.14
IUPAC Name(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncnn12
InChIInChI=1S/C20H16N8O2/c21-16(29)5-4-15-13(3-6-17-22-11-23-28(15)17)19-18(24-20-26(19)9-10-30-20)14-7-8-27(25-14)12-1-2-12/h3-12H,1-2H2,(H2,21,29)/b5-4+
InChIKeyCELHUQIQLQHCRD-SNAWJCMRSA-N
XLogP2.33
TPSA121.54 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.40
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide?
The IUPAC name of (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide (CID 146407934) is (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide is NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2ncnn12.
What is the InChIKey of (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide?
The InChIKey is CELHUQIQLQHCRD-SNAWJCMRSA-N. The full InChI is InChI=1S/C20H16N8O2/c21-16(29)5-4-15-13(3-6-17-22-11-23-28(15)17)19-18(24-20-26(19)9-10-30-20)14-7-8-27(25-14)12-1-2-12/h3-12H,1-2H2,(H2,21,29)/b5-4+.
What are the key properties of (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide?
(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide has a molecular weight of 400.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]prop-2-enamide is sourced from PubChem (CID 146407934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).