(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide

C22H17N7O2 — CID 146408079

IUPAC(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)cnc2ncccc12
InChIInChI=1S/C22H17N7O2/c23-18(30)6-5-14-15-2-1-8-24-21(15)25-12-16(14)20-19(26-22-28(20)10-11-31-22)17-7-9-29(27-17)13-3-4-13/h1-2,5-13H,3-4H2,(H2,23,30)/b6-5+
InChIKeyXTSIHOKDUTULKA-AATRIKPKSA-N
MW411.43 g/mol
LogP3.23
Rot. Bonds5

About (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide

(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide (PubChem CID 146408079) has the molecular formula C22H17N7O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide
PubChem CID146408079
Molecular FormulaC22H17N7O2
Molecular Weight411.43 g/mol
Exact Mass411.14
IUPAC Name(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide
SMILESNC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)cnc2ncccc12
InChIInChI=1S/C22H17N7O2/c23-18(30)6-5-14-15-2-1-8-24-21(15)25-12-16(14)20-19(26-22-28(20)10-11-31-22)17-7-9-29(27-17)13-3-4-13/h1-2,5-13H,3-4H2,(H2,23,30)/b6-5+
InChIKeyXTSIHOKDUTULKA-AATRIKPKSA-N
XLogP3.23
TPSA117.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide?
The IUPAC name of (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide (CID 146408079) is (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide?
The canonical SMILES for (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide is NC(=O)/C=C/c1c(-c2c(-c3ccn(C4CC4)n3)nc3occn23)cnc2ncccc12.
What is the InChIKey of (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide?
The InChIKey is XTSIHOKDUTULKA-AATRIKPKSA-N. The full InChI is InChI=1S/C22H17N7O2/c23-18(30)6-5-14-15-2-1-8-24-21(15)25-12-16(14)20-19(26-22-28(20)10-11-31-22)17-7-9-29(27-17)13-3-4-13/h1-2,5-13H,3-4H2,(H2,23,30)/b6-5+.
What are the key properties of (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide?
(E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide has a molecular weight of 411.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-[6-(1-cyclopropylpyrazol-3-yl)imidazo[2,1-b][1,3]oxazol-5-yl]-1,8-naphthyridin-4-yl]prop-2-enamide is sourced from PubChem (CID 146408079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).