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

C21H17N7O2 — CID 146408053

IUPAC(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccn12
InChIInChI=1S/C21H17N7O2/c22-17(29)5-4-16-14(3-6-18-23-8-10-26(16)18)20-19(24-21-27(20)11-12-30-21)15-7-9-28(25-15)13-1-2-13/h3-13H,1-2H2,(H2,22,29)/b5-4+
InChIKeyJPAWQNUTNDONRX-SNAWJCMRSA-N
MW399.41 g/mol
LogP2.94
Rot. Bonds5

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

(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide (PubChem CID 146408053) has the molecular formula C21H17N7O2 and a molecular weight of 399.41 g/mol. Its IUPAC name is (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-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]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide
PubChem CID146408053
Molecular FormulaC21H17N7O2
Molecular Weight399.41 g/mol
Exact Mass399.14
IUPAC Name(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccn12
InChIInChI=1S/C21H17N7O2/c22-17(29)5-4-16-14(3-6-18-23-8-10-26(16)18)20-19(24-21-27(20)11-12-30-21)15-7-9-28(25-15)13-1-2-13/h3-13H,1-2H2,(H2,22,29)/b5-4+
InChIKeyJPAWQNUTNDONRX-SNAWJCMRSA-N
XLogP2.94
TPSA108.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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]imidazo[1,2-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]imidazo[1,2-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]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide (CID 146408053) is (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-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]imidazo[1,2-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]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide is NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)ccc2nccn12.
What is the InChIKey of (E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide?
The InChIKey is JPAWQNUTNDONRX-SNAWJCMRSA-N. The full InChI is InChI=1S/C21H17N7O2/c22-17(29)5-4-16-14(3-6-18-23-8-10-26(16)18)20-19(24-21-27(20)11-12-30-21)15-7-9-28(25-15)13-1-2-13/h3-13H,1-2H2,(H2,22,29)/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]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide?
(E)-3-[6-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide has a molecular weight of 399.41 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 8 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]imidazo[1,2-a]pyridin-5-yl]prop-2-enamide is sourced from PubChem (CID 146408053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).